(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide

C21H30N4O — CID 124803554

IUPAC(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCn1c(CN2CCC[C@@H](C(=O)NC3CCCCC3)C2)nc2ccccc21
InChIInChI=1S/C21H30N4O/c1-24-19-12-6-5-11-18(19)23-20(24)15-25-13-7-8-16(14-25)21(26)22-17-9-3-2-4-10-17/h5-6,11-12,16-17H,2-4,7-10,13-15H2,1H3,(H,22,26)/t16-/m1/s1
InChIKeyGXCLXALSLFOWLL-MRXNPFEDSA-N
MW354.50 g/mol
LogP3.23
Rot. Bonds4

About (3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide

(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 124803554) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID124803554
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCn1c(CN2CCC[C@@H](C(=O)NC3CCCCC3)C2)nc2ccccc21
InChIInChI=1S/C21H30N4O/c1-24-19-12-6-5-11-18(19)23-20(24)15-25-13-7-8-16(14-25)21(26)22-17-9-3-2-4-10-17/h5-6,11-12,16-17H,2-4,7-10,13-15H2,1H3,(H,22,26)/t16-/m1/s1
InChIKeyGXCLXALSLFOWLL-MRXNPFEDSA-N
XLogP3.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124590860
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 124915385
(3S)-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-cyclohexylpiperidine-3-carboxamide
CID 124785962
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70750788
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide
CID 124814766
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide
CID 124785350
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124814723
(4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 45226307
(3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124822913
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 25286163
N-cyclopropyl-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 71686625

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide (CID 124803554) is (3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide is Cn1c(CN2CCC[C@@H](C(=O)NC3CCCCC3)C2)nc2ccccc21.
What is the InChIKey of (3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is GXCLXALSLFOWLL-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H30N4O/c1-24-19-12-6-5-11-18(19)23-20(24)15-25-13-7-8-16(14-25)21(26)22-17-9-3-2-4-10-17/h5-6,11-12,16-17H,2-4,7-10,13-15H2,1H3,(H,22,26)/t16-/m1/s1.
What are the key properties of (3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 124803554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).