1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide

C24H29N3O2 — CID 43923600

IUPAC1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)C1CCCN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C24H29N3O2/c1-3-14-25-24(29)21-8-4-5-9-22(21)26-23(28)20-7-6-15-27(17-20)16-19-12-10-18(2)11-13-19/h3-5,8-13,20H,1,6-7,14-17H2,2H3,(H,25,29)(H,26,28)
InChIKeyHCJMRZMBTKPIOJ-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.76
Rot. Bonds7

About 1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide

1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 43923600) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID43923600
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)C1CCCN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C24H29N3O2/c1-3-14-25-24(29)21-8-4-5-9-22(21)26-23(28)20-7-6-15-27(17-20)16-19-12-10-18(2)11-13-19/h3-5,8-13,20H,1,6-7,14-17H2,2H3,(H,25,29)(H,26,28)
InChIKeyHCJMRZMBTKPIOJ-UHFFFAOYSA-N
XLogP3.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)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

1-[(2,6-dichlorophenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923606
1-[(3-bromophenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923607
1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925204
N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921368
(3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide
CID 93490114
(3S)-1-(dimethylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 94019369
(3R)-N-[2-(tert-butylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 38100852
(3R)-1-(4-chlorobenzoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 39996060
1-(4-chlorophenyl)sulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 24622856
N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43923445
methyl 2-[[(3S)-1-benzylpiperidine-3-carbonyl]amino]benzoate
CID 93490753
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919136

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 43923600) is 1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide is C=CCNC(=O)c1ccccc1NC(=O)C1CCCN(Cc2ccc(C)cc2)C1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is HCJMRZMBTKPIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-14-25-24(29)21-8-4-5-9-22(21)26-23(28)20-7-6-15-27(17-20)16-19-12-10-18(2)11-13-19/h3-5,8-13,20H,1,6-7,14-17H2,2H3,(H,25,29)(H,26,28).
What are the key properties of 1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide?
1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43923600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).