3-{[2-(4-ethylpiperazin-1-yl)phenyl]carbamoyl}propanoic acid

3-{[2-(4-ethylpiperazin-1-yl)phenyl]carbamoyl}propanoic acid

CAS: 801227-62-3

Formula: C16H23N3O3

SMILES: CCN1CCN(CC1)C1=C(NC(=O)CCC(O)=O)C=CC=C1

IUPAC: 3-{[2-(4-ethylpiperazin-1-yl)phenyl]carbamoyl}propanoic acid

InChI: InChI=1S/C16H23N3O3/c1-2-18-9-11-19(12-10-18)14-6-4-3-5-13(14)17-15(20)7-8-16(21)22/h3-6H,2,7-12H2,1H3,(H,17,20)(H,21,22)

Composition: C (62.93%), H (7.59%), N (13.76%), O (15.72%)

Molar Mass: 305.378

Atom Count: 45

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	305.173941613
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	ORDFXIRSCFORSC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.04
Topological Polar Surface Area	72.88
Polarizability	32.4
Ring Count	2
Rotatable Bond Count	6

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