N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide

C21H32N4O — CID 46108681

IUPACN-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide
SMILESCCCCn1c(N2CCCC(C(=O)NC(C)CC)C2)nc2ccccc21
InChIInChI=1S/C21H32N4O/c1-4-6-14-25-19-12-8-7-11-18(19)23-21(25)24-13-9-10-17(15-24)20(26)22-16(3)5-2/h7-8,11-12,16-17H,4-6,9-10,13-15H2,1-3H3,(H,22,26)
InChIKeyNWGRSTBAGBWOTD-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.97
Rot. Bonds7

About N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide

N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide (PubChem CID 46108681) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide
PubChem CID46108681
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC NameN-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide
SMILESCCCCn1c(N2CCCC(C(=O)NC(C)CC)C2)nc2ccccc21
InChIInChI=1S/C21H32N4O/c1-4-6-14-25-19-12-8-7-11-18(19)23-21(25)24-13-9-10-17(15-24)20(26)22-16(3)5-2/h7-8,11-12,16-17H,4-6,9-10,13-15H2,1-3H3,(H,22,26)
InChIKeyNWGRSTBAGBWOTD-UHFFFAOYSA-N
XLogP3.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 93016402
(3S)-1-(1-butylbenzimidazol-2-yl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 93016409
(3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93016426
1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 46108668
1-(1-butylbenzimidazol-2-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 42880667
(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93015133
1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxylic acid
CID 42880083
(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93015043
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
1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42880141
N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 46106509

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide (CID 46108681) is N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide is CCCCn1c(N2CCCC(C(=O)NC(C)CC)C2)nc2ccccc21.
What is the InChIKey of N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide?
The InChIKey is NWGRSTBAGBWOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-4-6-14-25-19-12-8-7-11-18(19)23-21(25)24-13-9-10-17(15-24)20(26)22-16(3)5-2/h7-8,11-12,16-17H,4-6,9-10,13-15H2,1-3H3,(H,22,26).
What are the key properties of N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide?
N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(1-butylbenzimidazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46108681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).