N-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide

C19H27N5O — CID 128834600

IUPACN-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide
SMILESNCC1CCC(NC(=O)N2CCCCC2c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H27N5O/c20-12-13-8-9-14(11-13)21-19(25)24-10-4-3-7-17(24)18-22-15-5-1-2-6-16(15)23-18/h1-2,5-6,13-14,17H,3-4,7-12,20H2,(H,21,25)(H,22,23)
InChIKeyJAYAWJODNLQVRH-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.93
Rot. Bonds3

About N-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide

N-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide (PubChem CID 128834600) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide
PubChem CID128834600
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide
SMILESNCC1CCC(NC(=O)N2CCCCC2c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H27N5O/c20-12-13-8-9-14(11-13)21-19(25)24-10-4-3-7-17(24)18-22-15-5-1-2-6-16(15)23-18/h1-2,5-6,13-14,17H,3-4,7-12,20H2,(H,21,25)(H,22,23)
InChIKeyJAYAWJODNLQVRH-UHFFFAOYSA-N
XLogP2.93
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-yl)-N-[(2S,3R)-2-ethyloxolan-3-yl]piperidine-1-carboxamide
CID 128697477
2-(1H-benzimidazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993592
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
2-(1H-benzimidazol-2-yl)-4-benzyl-N-cyclohexylpiperazine-1-carboxamide
CID 44783424
(2R)-2-(1H-benzimidazol-2-yl)-N-(1-ethyl-3-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 97434031
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126469939
2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 3231348
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 99994993
(4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 124876799
2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide
CID 121239371
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide (CID 128834600) is N-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide is NCC1CCC(NC(=O)N2CCCCC2c2nc3ccccc3[nH]2)C1.
What is the InChIKey of N-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is JAYAWJODNLQVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c20-12-13-8-9-14(11-13)21-19(25)24-10-4-3-7-17(24)18-22-15-5-1-2-6-16(15)23-18/h1-2,5-6,13-14,17H,3-4,7-12,20H2,(H,21,25)(H,22,23).
What are the key properties of N-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide?
N-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)cyclopentyl]-2-(1H-benzimidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 128834600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).