1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide

C23H28N4O3 — CID 140931154

IUPAC1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1cc(CCNC(=O)C2CCCN(c3nc4ccccc4[nH]3)C2)cc(OC)c1
InChIInChI=1S/C23H28N4O3/c1-29-18-12-16(13-19(14-18)30-2)9-10-24-22(28)17-6-5-11-27(15-17)23-25-20-7-3-4-8-21(20)26-23/h3-4,7-8,12-14,17H,5-6,9-11,15H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyRHLDTRCARBRVTB-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.16
Rot. Bonds7

About 1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide

1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 140931154) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
PubChem CID140931154
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1cc(CCNC(=O)C2CCCN(c3nc4ccccc4[nH]3)C2)cc(OC)c1
InChIInChI=1S/C23H28N4O3/c1-29-18-12-16(13-19(14-18)30-2)9-10-24-22(28)17-6-5-11-27(15-17)23-25-20-7-3-4-8-21(20)26-23/h3-4,7-8,12-14,17H,5-6,9-11,15H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyRHLDTRCARBRVTB-UHFFFAOYSA-N
XLogP3.16
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066
(3R)-1-(1H-benzimidazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 92876760
(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 92876835
1-(6-bromo-1H-benzimidazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 46359098
(3S)-1-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 92876577
(3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 92876810
1-(1H-benzimidazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 46359196
(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876805
(3R)-1-(6-chloro-1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 92876604
(3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92876520
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92876841
(3S)-1-(1H-benzimidazol-2-yl)-N-(3-cyclohexylsulfanylpropyl)piperidine-3-carboxamide
CID 92716100

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide (CID 140931154) is 1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide is COc1cc(CCNC(=O)C2CCCN(c3nc4ccccc4[nH]3)C2)cc(OC)c1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is RHLDTRCARBRVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-29-18-12-16(13-19(14-18)30-2)9-10-24-22(28)17-6-5-11-27(15-17)23-25-20-7-3-4-8-21(20)26-23/h3-4,7-8,12-14,17H,5-6,9-11,15H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide?
1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 140931154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).