tert-butyl 4-(2-{[(benzyloxy)carbonyl]amino}ethyl)piperazine-1-carboxylate

tert-butyl 4-(2-{[(benzyloxy)carbonyl]amino}ethyl)piperazine-1-carboxylate

CAS: 302557-32-0

Formula: C19H29N3O4

SMILES: CC(C)(C)OC(=O)N1CCN(CCNC(=O)OCC2=CC=CC=C2)CC1

IUPAC: tert-butyl 4-(2-{[(benzyloxy)carbonyl]amino}ethyl)piperazine-1-carboxylate

InChI: InChI=1S/C19H29N3O4/c1-19(2,3)26-18(24)22-13-11-21(12-14-22)10-9-20-17(23)25-15-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3,(H,20,23)

Composition: C (62.79%), H (8.04%), N (11.56%), O (17.61%)

Molar Mass: 363.458

Atom Count: 55

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	363.215806426
Formal Charge	0
FSP3	0.58
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	TVSZRCUJIBAGJV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.37
Topological Polar Surface Area	71.11
Polarizability	38.88
Ring Count	2
Rotatable Bond Count	8

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