1-benzyl-3-cyclohexyl-1-(piperidin-4-ylmethyl)urea

1-benzyl-3-cyclohexyl-1-(piperidin-4-ylmethyl)urea

CAS: 1629138-41-5

Formula: C20H31N3O

SMILES: O=C(NC1CCCCC1)N(CC1CCNCC1)CC1=CC=CC=C1

IUPAC: 1-benzyl-3-cyclohexyl-1-[(piperidin-4-yl)methyl]urea

InChI: InChI=1S/C20H31N3O/c24-20(22-19-9-5-2-6-10-19)23(15-17-7-3-1-4-8-17)16-18-11-13-21-14-12-18/h1,3-4,7-8,18-19,21H,2,5-6,9-16H2,(H,22,24)

Composition: C (72.91%), H (9.48%), N (12.75%), O (4.86%)

Molar Mass: 329.488

Atom Count: 55

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	329.24671263
Formal Charge	0
FSP3	0.65
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	LNOPAJNGRAPFKZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.43
Topological Polar Surface Area	44.37
Polarizability	38.53
Ring Count	3
Rotatable Bond Count	5

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