(3R)-1-(2-amino-2-oxoethyl)-N-(1-cyclohexyl-2-methylbenzimidazol-5-yl)piperidine-3-carboxamide

C22H31N5O2 — CID 92614391

IUPAC(3R)-1-(2-amino-2-oxoethyl)-N-(1-cyclohexyl-2-methylbenzimidazol-5-yl)piperidine-3-carboxamide
SMILESCc1nc2cc(NC(=O)[C@@H]3CCCN(CC(N)=O)C3)ccc2n1C1CCCCC1
InChIInChI=1S/C22H31N5O2/c1-15-24-19-12-17(9-10-20(19)27(15)18-7-3-2-4-8-18)25-22(29)16-6-5-11-26(13-16)14-21(23)28/h9-10,12,16,18H,2-8,11,13-14H2,1H3,(H2,23,28)(H,25,29)/t16-/m1/s1
InChIKeyHWHIFHBWVXLIAC-MRXNPFEDSA-N
MW397.52 g/mol
LogP2.99
Rot. Bonds5

About (3R)-1-(2-amino-2-oxoethyl)-N-(1-cyclohexyl-2-methylbenzimidazol-5-yl)piperidine-3-carboxamide

(3R)-1-(2-amino-2-oxoethyl)-N-(1-cyclohexyl-2-methylbenzimidazol-5-yl)piperidine-3-carboxamide (PubChem CID 92614391) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is (3R)-1-(2-amino-2-oxoethyl)-N-(1-cyclohexyl-2-methylbenzimidazol-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-amino-2-oxoethyl)-N-(1-cyclohexyl-2-methylbenzimidazol-5-yl)piperidine-3-carboxamide
PubChem CID92614391
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name(3R)-1-(2-amino-2-oxoethyl)-N-(1-cyclohexyl-2-methylbenzimidazol-5-yl)piperidine-3-carboxamide
SMILESCc1nc2cc(NC(=O)[C@@H]3CCCN(CC(N)=O)C3)ccc2n1C1CCCCC1
InChIInChI=1S/C22H31N5O2/c1-15-24-19-12-17(9-10-20(19)27(15)18-7-3-2-4-8-18)25-22(29)16-6-5-11-26(13-16)14-21(23)28/h9-10,12,16,18H,2-8,11,13-14H2,1H3,(H2,23,28)(H,25,29)/t16-/m1/s1
InChIKeyHWHIFHBWVXLIAC-MRXNPFEDSA-N
XLogP2.99
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 131935611
1-(1-ethylpiperidin-3-yl)-2-methylbenzimidazole-5-carboxylic acid
CID 61478085
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154
(3S)-1-(2-amino-2-oxoethyl)-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]piperidine-3-carboxamide
CID 92614404
1-(1-cyclopentyl-2-methylbenzimidazol-5-yl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20888002
N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611214
(3R)-1-(2-amino-2-oxoethyl)-N-[5-(3,4-dimethylphenyl)-1-methylimidazol-2-yl]piperidine-3-carboxamide
CID 92614379
1-(2-amino-2-oxoethyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 131888945
N-[1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 17218632
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
1-(2-amino-2-oxoethyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]piperidine-3-carboxamide
CID 46995964

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-amino-2-oxoethyl)-N-(1-cyclohexyl-2-methylbenzimidazol-5-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-amino-2-oxoethyl)-N-(1-cyclohexyl-2-methylbenzimidazol-5-yl)piperidine-3-carboxamide (CID 92614391) is (3R)-1-(2-amino-2-oxoethyl)-N-(1-cyclohexyl-2-methylbenzimidazol-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-amino-2-oxoethyl)-N-(1-cyclohexyl-2-methylbenzimidazol-5-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-amino-2-oxoethyl)-N-(1-cyclohexyl-2-methylbenzimidazol-5-yl)piperidine-3-carboxamide is Cc1nc2cc(NC(=O)[C@@H]3CCCN(CC(N)=O)C3)ccc2n1C1CCCCC1.
What is the InChIKey of (3R)-1-(2-amino-2-oxoethyl)-N-(1-cyclohexyl-2-methylbenzimidazol-5-yl)piperidine-3-carboxamide?
The InChIKey is HWHIFHBWVXLIAC-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-15-24-19-12-17(9-10-20(19)27(15)18-7-3-2-4-8-18)25-22(29)16-6-5-11-26(13-16)14-21(23)28/h9-10,12,16,18H,2-8,11,13-14H2,1H3,(H2,23,28)(H,25,29)/t16-/m1/s1.
What are the key properties of (3R)-1-(2-amino-2-oxoethyl)-N-(1-cyclohexyl-2-methylbenzimidazol-5-yl)piperidine-3-carboxamide?
(3R)-1-(2-amino-2-oxoethyl)-N-(1-cyclohexyl-2-methylbenzimidazol-5-yl)piperidine-3-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-amino-2-oxoethyl)-N-(1-cyclohexyl-2-methylbenzimidazol-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92614391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).