N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide

C25H25ClN2O — CID 46054282

IUPACN-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
SMILESO=C(c1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C25H25ClN2O/c26-24-14-8-7-11-21(24)19-27-17-15-23(16-18-27)28(22-12-5-2-6-13-22)25(29)20-9-3-1-4-10-20/h1-14,23H,15-19H2
InChIKeyBGMZWIBNACKGAP-UHFFFAOYSA-N
MW404.94 g/mol
LogP5.65
Rot. Bonds5

About N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide

N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide (PubChem CID 46054282) has the molecular formula C25H25ClN2O and a molecular weight of 404.94 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
PubChem CID46054282
Molecular FormulaC25H25ClN2O
Molecular Weight404.94 g/mol
Exact Mass404.17
IUPAC NameN-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
SMILESO=C(c1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C25H25ClN2O/c26-24-14-8-7-11-21(24)19-27-17-15-23(16-18-27)28(22-12-5-2-6-13-22)25(29)20-9-3-1-4-10-20/h1-14,23H,15-19H2
InChIKeyBGMZWIBNACKGAP-UHFFFAOYSA-N
XLogP5.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.94
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-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

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047940
N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide
CID 46054475
N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46055052
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide
CID 46054292
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide
CID 46054270
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
N-benzyl-1-[(2-chlorophenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 17369338
4-methoxy-N-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46158972
(4-chlorophenyl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 60561002
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-methylbutan-1-one
CID 155674278

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide (CID 46054282) is N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide is O=C(c1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide?
The InChIKey is BGMZWIBNACKGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O/c26-24-14-8-7-11-21(24)19-27-17-15-23(16-18-27)28(22-12-5-2-6-13-22)25(29)20-9-3-1-4-10-20/h1-14,23H,15-19H2.
What are the key properties of N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide?
N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide has a molecular weight of 404.94 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide is sourced from PubChem (CID 46054282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).