N-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide

C22H25N3O3 — CID 46588527

IUPACN-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide
SMILESC=CCOc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O3/c1-2-16-28-20-10-8-17(9-11-20)21(26)23-19-12-14-25(15-13-19)22(27)24-18-6-4-3-5-7-18/h2-11,19H,1,12-16H2,(H,23,26)(H,24,27)
InChIKeyWGPFZMUMAWHCCE-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.68
Rot. Bonds6

About N-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide

N-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide (PubChem CID 46588527) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide
PubChem CID46588527
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide
SMILESC=CCOc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O3/c1-2-16-28-20-10-8-17(9-11-20)21(26)23-19-12-14-25(15-13-19)22(27)24-18-6-4-3-5-7-18/h2-11,19H,1,12-16H2,(H,23,26)(H,24,27)
InChIKeyWGPFZMUMAWHCCE-UHFFFAOYSA-N
XLogP3.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-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

4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46700471
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide
CID 25409335
4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
6-ethoxy-N-[1-(phenylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 87034036
N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide
CID 46537325
N-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide
CID 51088852
4-[(3-methoxybenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 43814029
4-[(4-ethoxybenzoyl)amino]-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 3218431
N-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119478238
N-[4-(cyclopentylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 51085603
4-methoxy-N-[1-(phenylcarbamothioyl)piperidin-4-yl]benzamide
CID 3218579

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide (CID 46588527) is N-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide is C=CCOc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of N-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide?
The InChIKey is WGPFZMUMAWHCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-2-16-28-20-10-8-17(9-11-20)21(26)23-19-12-14-25(15-13-19)22(27)24-18-6-4-3-5-7-18/h2-11,19H,1,12-16H2,(H,23,26)(H,24,27).
What are the key properties of N-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide?
N-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[(4-prop-2-enoxybenzoyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 46588527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).