(Z)-1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one

C21H23NO — CID 6373216

IUPAC(Z)-1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C(/c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C21H23NO/c1-17-10-12-19(13-11-17)21(23)16-20(18-8-4-2-5-9-18)22-14-6-3-7-15-22/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3/b20-16-
InChIKeyIPNOAYHKBRGPBH-SILNSSARSA-N
MW305.42 g/mol
LogP4.70
Rot. Bonds4

About (Z)-1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one

(Z)-1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one (PubChem CID 6373216) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (Z)-1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one
PubChem CID6373216
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(Z)-1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C(/c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C21H23NO/c1-17-10-12-19(13-11-17)21(23)16-20(18-8-4-2-5-9-18)22-14-6-3-7-15-22/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3/b20-16-
InChIKeyIPNOAYHKBRGPBH-SILNSSARSA-N
XLogP4.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one 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

Tolperisone
CID 5511
Eperisone
CID 3236
Tolperisone Hydrochloride
CID 92965
Eperisone Hydrochloride
CID 123698
AR-M1000390
CID 9841259
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
4-Benzyl-1-(3-methylbenzoyl)piperidine
CID 1378917
Alpha-D2PV
CID 33957
(1-Phenethyl-piperidin-4-yl)-phenyl-methanone
CID 10379653
1-Benzyl-4-(4-oxo-4-phenylbutyl)piperidine Hydrochloride
CID 14553361
N-(4-Methylbenzoyl)-4-benzylpiperidine
CID 1415427
4-(1-Piperidinyl)-1,2-naphthalenedione
CID 3393623

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of (Z)-1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one (CID 6373216) is (Z)-1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one is Cc1ccc(C(=O)/C=C(/c2ccccc2)N2CCCCC2)cc1.
What is the InChIKey of (Z)-1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one?
The InChIKey is IPNOAYHKBRGPBH-SILNSSARSA-N. The full InChI is InChI=1S/C21H23NO/c1-17-10-12-19(13-11-17)21(23)16-20(18-8-4-2-5-9-18)22-14-6-3-7-15-22/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3/b20-16-.
What are the key properties of (Z)-1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one?
(Z)-1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one has a molecular weight of 305.42 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 6373216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).