1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide

C25H25N3O2 — CID 126471673

IUPAC1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccn1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C25H25N3O2/c29-24(20-14-17-28(18-15-20)25(30)21-11-5-2-6-12-21)27-23(19-9-3-1-4-10-19)22-13-7-8-16-26-22/h1-13,16,20,23H,14-15,17-18H2,(H,27,29)
InChIKeyQXHXXHQKSGEVBL-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.84
Rot. Bonds5

About 1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide

1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 126471673) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
PubChem CID126471673
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccn1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C25H25N3O2/c29-24(20-14-17-28(18-15-20)25(30)21-11-5-2-6-12-21)27-23(19-9-3-1-4-10-19)22-13-7-8-16-26-22/h1-13,16,20,23H,14-15,17-18H2,(H,27,29)
InChIKeyQXHXXHQKSGEVBL-UHFFFAOYSA-N
XLogP3.84
TPSA62.30 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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126475743
1-benzoyl-N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]piperidine-4-carboxamide
CID 167793693
1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 137423471
1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126473165
phenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone
CID 100748164
N-[1,3-benzodioxol-5-yl(pyridin-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 126474735
1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide
CID 126475651
2-[4-[[(4-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidin-1-yl]-2-methylpropanoic acid
CID 121413267
1-(1,2-oxazole-5-carbonyl)-N-[phenyl(pyrazin-2-yl)methyl]piperidine-4-carboxamide
CID 126475104
1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126474502
2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate
CID 126475457
(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
CID 119238348

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide (CID 126471673) is 1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide is O=C(NC(c1ccccc1)c1ccccn1)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is QXHXXHQKSGEVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-24(20-14-17-28(18-15-20)25(30)21-11-5-2-6-12-21)27-23(19-9-3-1-4-10-19)22-13-7-8-16-26-22/h1-13,16,20,23H,14-15,17-18H2,(H,27,29).
What are the key properties of 1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide?
1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 126471673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).