(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

C13H19N3O — CID 96568235

IUPAC(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NCc2ccncc2)C1
InChIInChI=1S/C13H19N3O/c1-16-8-2-3-12(10-16)13(17)15-9-11-4-6-14-7-5-11/h4-7,12H,2-3,8-10H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyUODXXLHXBJBJOX-LBPRGKRZSA-N
MW233.31 g/mol
LogP1.04
Rot. Bonds3

About (3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 96568235) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID96568235
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NCc2ccncc2)C1
InChIInChI=1S/C13H19N3O/c1-16-8-2-3-12(10-16)13(17)15-9-11-4-6-14-7-5-11/h4-7,12H,2-3,8-10H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyUODXXLHXBJBJOX-LBPRGKRZSA-N
XLogP1.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 95527743
1-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 50874520
tert-butyl 3-(pyridin-4-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51253317
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96558140
(3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 138539048
(3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide
CID 168934298
(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882098
1-(4-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 2983486
1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 43921898
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide
CID 50874469
(3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 1445009
(3R)-1-(4-acetamidophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 41062254

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (CID 96568235) is (3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is CN1CCC[C@H](C(=O)NCc2ccncc2)C1.
What is the InChIKey of (3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is UODXXLHXBJBJOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16-8-2-3-12(10-16)13(17)15-9-11-4-6-14-7-5-11/h4-7,12H,2-3,8-10H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 96568235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).