3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C20H26N4O — CID 155879167

IUPAC3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)C1(Nc2ccccc2)CCCN(Cc2cccnc2)C1
InChIInChI=1S/C20H26N4O/c1-23(2)19(25)20(22-18-9-4-3-5-10-18)11-7-13-24(16-20)15-17-8-6-12-21-14-17/h3-6,8-10,12,14,22H,7,11,13,15-16H2,1-2H3
InChIKeyHAEBQTWDORHCNZ-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.62
Rot. Bonds5

About 3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide

3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 155879167) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID155879167
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCN(C)C(=O)C1(Nc2ccccc2)CCCN(Cc2cccnc2)C1
InChIInChI=1S/C20H26N4O/c1-23(2)19(25)20(22-18-9-4-3-5-10-18)11-7-13-24(16-20)15-17-8-6-12-21-14-17/h3-6,8-10,12,14,22H,7,11,13,15-16H2,1-2H3
InChIKeyHAEBQTWDORHCNZ-UHFFFAOYSA-N
XLogP2.62
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 155878831
3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid
CID 171692325
3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 155878993
N,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 155878997
3-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 56862776
(3S)-3-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 95403155
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689
4-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155873379
1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol
CID 104735832
(3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 124989292
N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97392794
(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 124986361

Frequently Asked Questions

What is the IUPAC name of 3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 155879167) is 3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide is CN(C)C(=O)C1(Nc2ccccc2)CCCN(Cc2cccnc2)C1.
What is the InChIKey of 3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is HAEBQTWDORHCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23(2)19(25)20(22-18-9-4-3-5-10-18)11-7-13-24(16-20)15-17-8-6-12-21-14-17/h3-6,8-10,12,14,22H,7,11,13,15-16H2,1-2H3.
What are the key properties of 3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 155879167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).