2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide

C23H28N4O3 — CID 121239371

IUPAC2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCCCC2c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C23H28N4O3/c1-29-20-11-10-16(15-21(20)30-2)12-13-24-23(28)27-14-6-5-9-19(27)22-25-17-7-3-4-8-18(17)26-22/h3-4,7-8,10-11,15,19H,5-6,9,12-14H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyGIQVBUSVDFVMQJ-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.06
Rot. Bonds6

About 2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide

2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 121239371) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide
PubChem CID121239371
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCCCC2c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C23H28N4O3/c1-29-20-11-10-16(15-21(20)30-2)12-13-24-23(28)27-14-6-5-9-19(27)22-25-17-7-3-4-8-18(17)26-22/h3-4,7-8,10-11,15,19H,5-6,9,12-14H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyGIQVBUSVDFVMQJ-UHFFFAOYSA-N
XLogP4.06
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1H-benzimidazol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 129366444
(2S)-2-(1H-benzimidazol-2-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxamide
CID 125144818
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 55453365
2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 3231348
(2S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 52521085
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 25388924
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
CID 40920690
6-[3-[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 124879638
6-[3-[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 124879639
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 51488623
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 95807248

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide (CID 121239371) is 2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide is COc1ccc(CCNC(=O)N2CCCCC2c2nc3ccccc3[nH]2)cc1OC.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is GIQVBUSVDFVMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-29-20-11-10-16(15-21(20)30-2)12-13-24-23(28)27-14-6-5-9-19(27)22-25-17-7-3-4-8-18(17)26-22/h3-4,7-8,10-11,15,19H,5-6,9,12-14H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide?
2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 121239371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).