1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide

C27H28ClN3O2 — CID 42865494

IUPAC1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide
SMILESCc1cccc(CNC(=O)C2CC(c3ccccc3)CN(C(=O)Nc3cccc(Cl)c3)C2)c1
InChIInChI=1S/C27H28ClN3O2/c1-19-7-5-8-20(13-19)16-29-26(32)23-14-22(21-9-3-2-4-10-21)17-31(18-23)27(33)30-25-12-6-11-24(28)15-25/h2-13,15,22-23H,14,16-18H2,1H3,(H,29,32)(H,30,33)
InChIKeyBLAYQOZIHGAHCD-UHFFFAOYSA-N
MW461.99 g/mol
LogP5.60
Rot. Bonds5

About 1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide

1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide (PubChem CID 42865494) has the molecular formula C27H28ClN3O2 and a molecular weight of 461.99 g/mol. Its IUPAC name is 1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide
PubChem CID42865494
Molecular FormulaC27H28ClN3O2
Molecular Weight461.99 g/mol
Exact Mass461.19
IUPAC Name1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide
SMILESCc1cccc(CNC(=O)C2CC(c3ccccc3)CN(C(=O)Nc3cccc(Cl)c3)C2)c1
InChIInChI=1S/C27H28ClN3O2/c1-19-7-5-8-20(13-19)16-29-26(32)23-14-22(21-9-3-2-4-10-21)17-31(18-23)27(33)30-25-12-6-11-24(28)15-25/h2-13,15,22-23H,14,16-18H2,1H3,(H,29,32)(H,30,33)
InChIKeyBLAYQOZIHGAHCD-UHFFFAOYSA-N
XLogP5.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.99
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide 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

(3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 92995542
(3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 92997150
(3R,5S)-1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 92996923
4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478442
1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 46065416
1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148085
N-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
CID 42869328
(3S,5S)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994782
(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994779
(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872816
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 83287460
1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865431

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide (CID 42865494) is 1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide is Cc1cccc(CNC(=O)C2CC(c3ccccc3)CN(C(=O)Nc3cccc(Cl)c3)C2)c1.
What is the InChIKey of 1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is BLAYQOZIHGAHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O2/c1-19-7-5-8-20(13-19)16-29-26(32)23-14-22(21-9-3-2-4-10-21)17-31(18-23)27(33)30-25-12-6-11-24(28)15-25/h2-13,15,22-23H,14,16-18H2,1H3,(H,29,32)(H,30,33).
What are the key properties of 1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide?
1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 461.99 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 42865494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).