(Z)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-5-(4-methoxyphenyl)-3-phenylpent-2-en-1-one

C29H31NO3 — CID 126494939

IUPAC(Z)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-5-(4-methoxyphenyl)-3-phenylpent-2-en-1-one
SMILESCOc1ccc(CC/C(=C/C(=O)N2CCC(O)(c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C29H31NO3/c1-33-27-16-13-23(14-17-27)12-15-25(24-8-4-2-5-9-24)22-28(31)30-20-18-29(32,19-21-30)26-10-6-3-7-11-26/h2-11,13-14,16-17,22,32H,12,15,18-21H2,1H3/b25-22-
InChIKeyHCIWKXHSRZDRDC-LVWGJNHUSA-N
MW441.57 g/mol
LogP5.22
Rot. Bonds7

About (Z)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-5-(4-methoxyphenyl)-3-phenylpent-2-en-1-one

(Z)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-5-(4-methoxyphenyl)-3-phenylpent-2-en-1-one (PubChem CID 126494939) has the molecular formula C29H31NO3 and a molecular weight of 441.57 g/mol. Its IUPAC name is (Z)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-5-(4-methoxyphenyl)-3-phenylpent-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-5-(4-methoxyphenyl)-3-phenylpent-2-en-1-one
PubChem CID126494939
Molecular FormulaC29H31NO3
Molecular Weight441.57 g/mol
Exact Mass441.23
IUPAC Name(Z)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-5-(4-methoxyphenyl)-3-phenylpent-2-en-1-one
SMILESCOc1ccc(CC/C(=C/C(=O)N2CCC(O)(c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C29H31NO3/c1-33-27-16-13-23(14-17-27)12-15-25(24-8-4-2-5-9-24)22-28(31)30-20-18-29(32,19-21-30)26-10-6-3-7-11-26/h2-11,13-14,16-17,22,32H,12,15,18-21H2,1H3/b25-22-
InChIKeyHCIWKXHSRZDRDC-LVWGJNHUSA-N
XLogP5.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.57
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-5-(4-methoxyphenyl)-3-phenylpent-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

(Z)-5-(3-fluoro-4-methoxyphenyl)-1-[4-[4-(fluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-3-phenylpent-2-en-1-one
CID 126494945
2-[[4-[3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropyl]phenyl]methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 22325285
4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 22241020
3-(5-bromo-2-methoxyphenyl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)prop-2-en-1-one
CID 44757959
(Z)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)pent-2-enoic acid
CID 66759556
methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate
CID 134069306
1-[8-(4-methoxybenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-4-yl]-3-phenylpropan-1-one
CID 4272586
N-[(Z)-3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 155011691
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 3053609
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 127163757

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-5-(4-methoxyphenyl)-3-phenylpent-2-en-1-one?
The IUPAC name of (Z)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-5-(4-methoxyphenyl)-3-phenylpent-2-en-1-one (CID 126494939) is (Z)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-5-(4-methoxyphenyl)-3-phenylpent-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-5-(4-methoxyphenyl)-3-phenylpent-2-en-1-one?
The canonical SMILES for (Z)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-5-(4-methoxyphenyl)-3-phenylpent-2-en-1-one is COc1ccc(CC/C(=C/C(=O)N2CCC(O)(c3ccccc3)CC2)c2ccccc2)cc1.
What is the InChIKey of (Z)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-5-(4-methoxyphenyl)-3-phenylpent-2-en-1-one?
The InChIKey is HCIWKXHSRZDRDC-LVWGJNHUSA-N. The full InChI is InChI=1S/C29H31NO3/c1-33-27-16-13-23(14-17-27)12-15-25(24-8-4-2-5-9-24)22-28(31)30-20-18-29(32,19-21-30)26-10-6-3-7-11-26/h2-11,13-14,16-17,22,32H,12,15,18-21H2,1H3/b25-22-.
What are the key properties of (Z)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-5-(4-methoxyphenyl)-3-phenylpent-2-en-1-one?
(Z)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-5-(4-methoxyphenyl)-3-phenylpent-2-en-1-one has a molecular weight of 441.57 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-5-(4-methoxyphenyl)-3-phenylpent-2-en-1-one is sourced from PubChem (CID 126494939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).