N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide

C20H30N2O2 — CID 110013386

IUPACN-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCC1(Cc2ccccc2)CCCC1)N1CCC(CO)CC1
InChIInChI=1S/C20H30N2O2/c23-15-18-8-12-22(13-9-18)19(24)21-16-20(10-4-5-11-20)14-17-6-2-1-3-7-17/h1-3,6-7,18,23H,4-5,8-16H2,(H,21,24)
InChIKeyKRISMFGQZWZPGN-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.20
Rot. Bonds5

About N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide

N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 110013386) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID110013386
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCC1(Cc2ccccc2)CCCC1)N1CCC(CO)CC1
InChIInChI=1S/C20H30N2O2/c23-15-18-8-12-22(13-9-18)19(24)21-16-20(10-4-5-11-20)14-17-6-2-1-3-7-17/h1-3,6-7,18,23H,4-5,8-16H2,(H,21,24)
InChIKeyKRISMFGQZWZPGN-UHFFFAOYSA-N
XLogP3.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
2-[(1-benzylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977496
4-benzyl-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 125140570
2-[(1-benzylcyclobutyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977084
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110896530
3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide
CID 111443730
N-(2,2-dimethyl-5-phenylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111176017
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111444284
1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 119345267
4-benzyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 113214035
4-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]piperidine-1-carboxamide
CID 136577461
3-(hydroxymethyl)-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboxamide
CID 110895517

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide (CID 110013386) is N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide is O=C(NCC1(Cc2ccccc2)CCCC1)N1CCC(CO)CC1.
What is the InChIKey of N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is KRISMFGQZWZPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-15-18-8-12-22(13-9-18)19(24)21-16-20(10-4-5-11-20)14-17-6-2-1-3-7-17/h1-3,6-7,18,23H,4-5,8-16H2,(H,21,24).
What are the key properties of N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylcyclopentyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110013386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).