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

C15H23N3O — CID 124989292

IUPAC(3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@@]1(C)CCCN(Cc2ccncc2)C1
InChIInChI=1S/C15H23N3O/c1-15(14(19)17(2)3)7-4-10-18(12-15)11-13-5-8-16-9-6-13/h5-6,8-9H,4,7,10-12H2,1-3H3/t15-/m0/s1
InChIKeyOTHZRAJMPNWNLI-HNNXBMFYSA-N
MW261.37 g/mol
LogP1.77
Rot. Bonds3

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

(3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 124989292) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID124989292
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)[C@@]1(C)CCCN(Cc2ccncc2)C1
InChIInChI=1S/C15H23N3O/c1-15(14(19)17(2)3)7-4-10-18(12-15)11-13-5-8-16-9-6-13/h5-6,8-9H,4,7,10-12H2,1-3H3/t15-/m0/s1
InChIKeyOTHZRAJMPNWNLI-HNNXBMFYSA-N
XLogP1.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815538
(3S)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815537
3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 63136416
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137019
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
(3aS,8aR)-N,N-dimethyl-5-(pyridin-4-ylmethyl)-2-pyrimidin-2-yl-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxamide
CID 97378851
3-methyl-1-[(4-nitrophenyl)methyl]piperidine-3-carboxylic acid
CID 63136944
3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 72881029
[3-(dimethylamino)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 117012382
N,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878692
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 104823891

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide (CID 124989292) is (3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide is CN(C)C(=O)[C@@]1(C)CCCN(Cc2ccncc2)C1.
What is the InChIKey of (3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is OTHZRAJMPNWNLI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(14(19)17(2)3)7-4-10-18(12-15)11-13-5-8-16-9-6-13/h5-6,8-9H,4,7,10-12H2,1-3H3/t15-/m0/s1.
What are the key properties of (3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
(3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 124989292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).