(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide

C16H22N4O — CID 92716066

IUPAC(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C16H22N4O/c1-2-9-17-15(21)12-6-5-10-20(11-12)16-18-13-7-3-4-8-14(13)19-16/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,17,21)(H,18,19)/t12-/m0/s1
InChIKeyYCIZIUFWENFBOF-LBPRGKRZSA-N
MW286.38 g/mol
LogP2.31
Rot. Bonds4

About (3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide

(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide (PubChem CID 92716066) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
PubChem CID92716066
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C16H22N4O/c1-2-9-17-15(21)12-6-5-10-20(11-12)16-18-13-7-3-4-8-14(13)19-16/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,17,21)(H,18,19)/t12-/m0/s1
InChIKeyYCIZIUFWENFBOF-LBPRGKRZSA-N
XLogP2.31
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 92876810
(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876805
1-(1H-benzimidazol-2-yl)-N-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 140931154
(3S)-1-(1H-benzimidazol-2-yl)-N-(3-cyclohexylsulfanylpropyl)piperidine-3-carboxamide
CID 92716100
(3R)-1-(1H-benzimidazol-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 92876734
(3S)-1-(6-bromo-1H-benzimidazol-2-yl)-N-butylpiperidine-3-carboxamide
CID 92876535
(3R)-1-(1H-benzimidazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 92876760
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92876841
1-(6-bromo-1H-benzimidazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 46359098
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide
CID 92876925
1-(1H-benzimidazol-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133409751
(3R)-1-(6-chloro-1H-benzimidazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 92876600

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide (CID 92716066) is (3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide is CCCNC(=O)[C@H]1CCCN(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of (3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide?
The InChIKey is YCIZIUFWENFBOF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-9-17-15(21)12-6-5-10-20(11-12)16-18-13-7-3-4-8-14(13)19-16/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,17,21)(H,18,19)/t12-/m0/s1.
What are the key properties of (3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide?
(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 92716066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).