1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

C23H29N5O — CID 46108668

IUPAC1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESCCCCn1c(N2CCCC(C(=O)NCc3ccncc3)C2)nc2ccccc21
InChIInChI=1S/C23H29N5O/c1-2-3-15-28-21-9-5-4-8-20(21)26-23(28)27-14-6-7-19(17-27)22(29)25-16-18-10-12-24-13-11-18/h4-5,8-13,19H,2-3,6-7,14-17H2,1H3,(H,25,29)
InChIKeyVCQSOXGEJGTEFN-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.76
Rot. Bonds7

About 1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 46108668) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID46108668
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESCCCCn1c(N2CCCC(C(=O)NCc3ccncc3)C2)nc2ccccc21
InChIInChI=1S/C23H29N5O/c1-2-3-15-28-21-9-5-4-8-20(21)26-23(28)27-14-6-7-19(17-27)22(29)25-16-18-10-12-24-13-11-18/h4-5,8-13,19H,2-3,6-7,14-17H2,1H3,(H,25,29)
InChIKeyVCQSOXGEJGTEFN-UHFFFAOYSA-N
XLogP3.76
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-cyclopentylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 46106647
(3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93016426
(3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 93016402
N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46108681
(3S)-1-(1-butylbenzimidazol-2-yl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 93016409
1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 42880667
N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 46106509
1-[1-(2-phenylethyl)benzimidazol-2-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 46108688
1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxylic acid
CID 42880083
N-(3-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46106619
(3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 93015076
(3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 93015032

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (CID 46108668) is 1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is CCCCn1c(N2CCCC(C(=O)NCc3ccncc3)C2)nc2ccccc21.
What is the InChIKey of 1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is VCQSOXGEJGTEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-2-3-15-28-21-9-5-4-8-20(21)26-23(28)27-14-6-7-19(17-27)22(29)25-16-18-10-12-24-13-11-18/h4-5,8-13,19H,2-3,6-7,14-17H2,1H3,(H,25,29).
What are the key properties of 1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 46108668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).