(3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide

C21H32N4O — CID 93016426

IUPAC(3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCCCCn1c(N2CCC[C@H](C(=O)NCC(C)C)C2)nc2ccccc21
InChIInChI=1S/C21H32N4O/c1-4-5-13-25-19-11-7-6-10-18(19)23-21(25)24-12-8-9-17(15-24)20(26)22-14-16(2)3/h6-7,10-11,16-17H,4-5,8-9,12-15H2,1-3H3,(H,22,26)/t17-/m0/s1
InChIKeyXQZWMPMTBOIESZ-KRWDZBQOSA-N
MW356.51 g/mol
LogP3.83
Rot. Bonds7

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

(3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide (PubChem CID 93016426) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is (3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
PubChem CID93016426
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name(3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
SMILESCCCCn1c(N2CCC[C@H](C(=O)NCC(C)C)C2)nc2ccccc21
InChIInChI=1S/C21H32N4O/c1-4-5-13-25-19-11-7-6-10-18(19)23-21(25)24-12-8-9-17(15-24)20(26)22-14-16(2)3/h6-7,10-11,16-17H,4-5,8-9,12-15H2,1-3H3,(H,22,26)/t17-/m0/s1
InChIKeyXQZWMPMTBOIESZ-KRWDZBQOSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93015133
(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
1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 46108668
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
N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 46106509
methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate
CID 51494618
(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 (3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide (CID 93016426) is (3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide is CCCCn1c(N2CCC[C@H](C(=O)NCC(C)C)C2)nc2ccccc21.
What is the InChIKey of (3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide?
The InChIKey is XQZWMPMTBOIESZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H32N4O/c1-4-5-13-25-19-11-7-6-10-18(19)23-21(25)24-12-8-9-17(15-24)20(26)22-14-16(2)3/h6-7,10-11,16-17H,4-5,8-9,12-15H2,1-3H3,(H,22,26)/t17-/m0/s1.
What are the key properties of (3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide?
(3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 93016426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).