1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide

C26H29N3O — CID 110083413

IUPAC1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H29N3O/c1-27-25(30)26(13-17-29(18-14-26)20-21-7-3-2-4-8-21)19-23-9-5-6-10-24(23)22-11-15-28-16-12-22/h2-12,15-16H,13-14,17-20H2,1H3,(H,27,30)
InChIKeySNGSBFHJMIWWOK-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.32
Rot. Bonds6

About 1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide

1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110083413) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID110083413
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H29N3O/c1-27-25(30)26(13-17-29(18-14-26)20-21-7-3-2-4-8-21)19-23-9-5-6-10-24(23)22-11-15-28-16-12-22/h2-12,15-16H,13-14,17-20H2,1H3,(H,27,30)
InChIKeySNGSBFHJMIWWOK-UHFFFAOYSA-N
XLogP4.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(pyridin-4-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083487
N-methyl-1-(pyridin-3-ylmethyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083488
N-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805527
1-benzyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805544
(3S)-N-methyl-1-(3-phenylpropanoyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609735
N-methyl-1-(pyridin-4-ylmethyl)-3-[(2-pyrimidin-5-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232646
N-methyl-1-(3-phenylpropanoyl)-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231696
(3S)-N-methyl-1-(2-phenoxyacetyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609749
N-methyl-4-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
CID 129360850
(3S)-1-[2-(4-methoxyphenyl)acetyl]-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609767
(3S)-1-(2-cyclopentylacetyl)-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609711
1-[2-(2-methoxyphenyl)acetyl]-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231146

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (CID 110083413) is 1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is CNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is SNGSBFHJMIWWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-27-25(30)26(13-17-29(18-14-26)20-21-7-3-2-4-8-21)19-23-9-5-6-10-24(23)22-11-15-28-16-12-22/h2-12,15-16H,13-14,17-20H2,1H3,(H,27,30).
What are the key properties of 1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110083413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).