3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide

C26H26N2O2 — CID 60523650

IUPAC3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(CN2CCC(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C26H26N2O2/c29-25(21-9-3-1-4-10-21)22-14-16-28(17-15-22)19-20-8-7-11-23(18-20)26(30)27-24-12-5-2-6-13-24/h1-13,18,22H,14-17,19H2,(H,27,30)
InChIKeyGCDMWPZDJWEMCA-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.03
Rot. Bonds6

About 3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide

3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide (PubChem CID 60523650) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide
PubChem CID60523650
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(CN2CCC(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C26H26N2O2/c29-25(21-9-3-1-4-10-21)22-14-16-28(17-15-22)19-20-8-7-11-23(18-20)26(30)27-24-12-5-2-6-13-24/h1-13,18,22H,14-17,19H2,(H,27,30)
InChIKeyGCDMWPZDJWEMCA-UHFFFAOYSA-N
XLogP5.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
3-[[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]-N-phenylbenzamide
CID 146128757
3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide
CID 146143912
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone
CID 19771944
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
1-[(3-carboxyphenyl)methyl]piperidine-4-carboxylic acid
CID 82162737
[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone
CID 134116002
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119438516
N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide
CID 42850884
3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872361
3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 3296520

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide?
The IUPAC name of 3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide (CID 60523650) is 3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide?
The canonical SMILES for 3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1cccc(CN2CCC(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide?
The InChIKey is GCDMWPZDJWEMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c29-25(21-9-3-1-4-10-21)22-14-16-28(17-15-22)19-20-8-7-11-23(18-20)26(30)27-24-12-5-2-6-13-24/h1-13,18,22H,14-17,19H2,(H,27,30).
What are the key properties of 3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide?
3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide has a molecular weight of 398.51 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide is sourced from PubChem (CID 60523650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).