N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

C22H31ClN2O2 — CID 60573636

IUPACN-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)CC1
InChIInChI=1S/C22H31ClN2O2/c1-16(2)21(27)25-13-9-17(10-14-25)20(26)24-15-22(11-3-4-12-22)18-5-7-19(23)8-6-18/h5-8,16-17H,3-4,9-15H2,1-2H3,(H,24,26)
InChIKeyISDOLADEMADDQP-UHFFFAOYSA-N
MW390.96 g/mol
LogP4.16
Rot. Bonds5

About N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 60573636) has the molecular formula C22H31ClN2O2 and a molecular weight of 390.96 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID60573636
Molecular FormulaC22H31ClN2O2
Molecular Weight390.96 g/mol
Exact Mass390.21
IUPAC NameN-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)CC1
InChIInChI=1S/C22H31ClN2O2/c1-16(2)21(27)25-13-9-17(10-14-25)20(26)24-15-22(11-3-4-12-22)18-5-7-19(23)8-6-18/h5-8,16-17H,3-4,9-15H2,1-2H3,(H,24,26)
InChIKeyISDOLADEMADDQP-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-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

1-(2-methylpropanoyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 33105504
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide
CID 119749968
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 60573498
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119315649
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
N-(2-chloroprop-2-enyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113238678
(2S,4S)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120630711
2-(4-chlorophenyl)-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]butanoic acid
CID 120977798
9-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988823
N-(2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 43418235
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
CID 113090728

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 60573636) is N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)CC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is ISDOLADEMADDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN2O2/c1-16(2)21(27)25-13-9-17(10-14-25)20(26)24-15-22(11-3-4-12-22)18-5-7-19(23)8-6-18/h5-8,16-17H,3-4,9-15H2,1-2H3,(H,24,26).
What are the key properties of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 390.96 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 60573636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).