1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide

C26H28N4O2 — CID 47074842

IUPAC1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)Nc1cccc(NC(=O)C2CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C26H28N4O2/c31-25(21-11-8-16-30(19-21)18-20-9-3-1-4-10-20)27-23-14-7-15-24(17-23)29-26(32)28-22-12-5-2-6-13-22/h1-7,9-10,12-15,17,21H,8,11,16,18-19H2,(H,27,31)(H2,28,29,32)
InChIKeyJMSBPJXVSNBOCI-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.18
Rot. Bonds6

About 1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide

1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide (PubChem CID 47074842) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
PubChem CID47074842
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)Nc1cccc(NC(=O)C2CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C26H28N4O2/c31-25(21-11-8-16-30(19-21)18-20-9-3-1-4-10-20)27-23-14-7-15-24(17-23)29-26(32)28-22-12-5-2-6-13-22/h1-7,9-10,12-15,17,21H,8,11,16,18-19H2,(H,27,31)(H2,28,29,32)
InChIKeyJMSBPJXVSNBOCI-UHFFFAOYSA-N
XLogP5.18
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide 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

(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119438547
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
1-benzyl-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60562957
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962
1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 60563034
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198
1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43919796
(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 93490714
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide (CID 47074842) is 1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide is O=C(Nc1ccccc1)Nc1cccc(NC(=O)C2CCCN(Cc3ccccc3)C2)c1.
What is the InChIKey of 1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide?
The InChIKey is JMSBPJXVSNBOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c31-25(21-11-8-16-30(19-21)18-20-9-3-1-4-10-20)27-23-14-7-15-24(17-23)29-26(32)28-22-12-5-2-6-13-22/h1-7,9-10,12-15,17,21H,8,11,16,18-19H2,(H,27,31)(H2,28,29,32).
What are the key properties of 1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide?
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 5.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 47074842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).