N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide

C21H31N3O2 — CID 119339009

IUPACN-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2(CNC(=O)C3CCCCN3)CCCC2)cc1C
InChIInChI=1S/C21H31N3O2/c1-15-8-9-17(13-16(15)2)24-20(26)21(10-4-5-11-21)14-23-19(25)18-7-3-6-12-22-18/h8-9,13,18,22H,3-7,10-12,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyFFRMRHIYEVBQTN-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.06
Rot. Bonds5

About N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide

N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide (PubChem CID 119339009) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide
PubChem CID119339009
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2(CNC(=O)C3CCCCN3)CCCC2)cc1C
InChIInChI=1S/C21H31N3O2/c1-15-8-9-17(13-16(15)2)24-20(26)21(10-4-5-11-21)14-23-19(25)18-7-3-6-12-22-18/h8-9,13,18,22H,3-7,10-12,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyFFRMRHIYEVBQTN-UHFFFAOYSA-N
XLogP3.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119810681
1-[[(3-amino-2-methylbutanoyl)amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 120501902
5-amino-N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]-2-methylbenzamide
CID 120637216
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
(2R)-N-(3-hydroxy-4-methylphenyl)piperidine-2-carboxamide
CID 107701571
1-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119339036
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952
N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
(2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide
CID 93057625
(2R)-N-(4-acetamido-3-methylphenyl)piperidine-2-carboxamide
CID 103808431
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 98566354

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide?
The IUPAC name of N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide (CID 119339009) is N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide is Cc1ccc(NC(=O)C2(CNC(=O)C3CCCCN3)CCCC2)cc1C.
What is the InChIKey of N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide?
The InChIKey is FFRMRHIYEVBQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15-8-9-17(13-16(15)2)24-20(26)21(10-4-5-11-21)14-23-19(25)18-7-3-6-12-22-18/h8-9,13,18,22H,3-7,10-12,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide?
N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dimethylphenyl)carbamoyl]cyclopentyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 119339009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).