N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-methylpiperidine-3-carboxamide

C21H30N4O — CID 72863494

IUPACN-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCC2CCC(c3nc4ccccc4[nH]3)CC2)CCCNC1
InChIInChI=1S/C21H30N4O/c1-21(11-4-12-22-14-21)20(26)23-13-15-7-9-16(10-8-15)19-24-17-5-2-3-6-18(17)25-19/h2-3,5-6,15-16,22H,4,7-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyGWYAOHOYCOSKRH-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.34
Rot. Bonds4

About N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-methylpiperidine-3-carboxamide

N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-methylpiperidine-3-carboxamide (PubChem CID 72863494) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-methylpiperidine-3-carboxamide
PubChem CID72863494
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCC2CCC(c3nc4ccccc4[nH]3)CC2)CCCNC1
InChIInChI=1S/C21H30N4O/c1-21(11-4-12-22-14-21)20(26)23-13-15-7-9-16(10-8-15)19-24-17-5-2-3-6-18(17)25-19/h2-3,5-6,15-16,22H,4,7-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyGWYAOHOYCOSKRH-UHFFFAOYSA-N
XLogP3.34
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-methylpiperidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525938
N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 131949570
1-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)urea
CID 72904600
N-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63562778
N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70781192
N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119672528
methyl N-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 94179831
3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride
CID 119946260
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 116985498
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-methylpiperidine-3-carboxamide (CID 72863494) is N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-methylpiperidine-3-carboxamide is CC1(C(=O)NCC2CCC(c3nc4ccccc4[nH]3)CC2)CCCNC1.
What is the InChIKey of N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is GWYAOHOYCOSKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-21(11-4-12-22-14-21)20(26)23-13-15-7-9-16(10-8-15)19-24-17-5-2-3-6-18(17)25-19/h2-3,5-6,15-16,22H,4,7-14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-methylpiperidine-3-carboxamide?
N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 72863494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).