1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

C25H25N3O2 — CID 110243797

IUPAC1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C25H25N3O2/c26-24(30)25(13-6-16-28(18-25)23(29)20-7-2-1-3-8-20)17-21-9-4-5-10-22(21)19-11-14-27-15-12-19/h1-5,7-12,14-15H,6,13,16-18H2,(H2,26,30)
InChIKeyYWVNOBZCGFMKSN-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.70
Rot. Bonds5

About 1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110243797) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID110243797
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C25H25N3O2/c26-24(30)25(13-6-16-28(18-25)23(29)20-7-2-1-3-8-20)17-21-9-4-5-10-22(21)19-11-14-27-15-12-19/h1-5,7-12,14-15H,6,13,16-18H2,(H2,26,30)
InChIKeyYWVNOBZCGFMKSN-UHFFFAOYSA-N
XLogP3.70
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzoyl-N-prop-2-enyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92548584
(3S)-1-(3-fluorobenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92575766
1-(2-methoxybenzoyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232048
1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620740
(3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92575331
(3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92561151
(3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92601128
1-(2-phenoxyacetyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 129360841
1-(cyclopropanecarbonyl)-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 110245977
(3S)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 92605059
(3R)-1-[2-(4-methoxyphenyl)acetyl]-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92595440
1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083470

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (CID 110243797) is 1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is NC(=O)C1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is YWVNOBZCGFMKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c26-24(30)25(13-6-16-28(18-25)23(29)20-7-2-1-3-8-20)17-21-9-4-5-10-22(21)19-11-14-27-15-12-19/h1-5,7-12,14-15H,6,13,16-18H2,(H2,26,30).
What are the key properties of 1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110243797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).