1-[4-[(Z)-3-hydroxy-4-phenylbut-3-enyl]piperazin-1-yl]-3,3-diphenylpropan-1-one

C29H32N2O2 — CID 142151557

IUPAC1-[4-[(Z)-3-hydroxy-4-phenylbut-3-enyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC/C(O)=C/c2ccccc2)CC1
InChIInChI=1S/C29H32N2O2/c32-27(22-24-10-4-1-5-11-24)16-17-30-18-20-31(21-19-30)29(33)23-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,22,28,32H,16-21,23H2/b27-22-
InChIKeyURUVULBSFJANIB-QYQHSDTDSA-N
MW440.59 g/mol
LogP5.34
Rot. Bonds8

About 1-[4-[(Z)-3-hydroxy-4-phenylbut-3-enyl]piperazin-1-yl]-3,3-diphenylpropan-1-one

1-[4-[(Z)-3-hydroxy-4-phenylbut-3-enyl]piperazin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 142151557) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-[4-[(Z)-3-hydroxy-4-phenylbut-3-enyl]piperazin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(Z)-3-hydroxy-4-phenylbut-3-enyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
PubChem CID142151557
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name1-[4-[(Z)-3-hydroxy-4-phenylbut-3-enyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC/C(O)=C/c2ccccc2)CC1
InChIInChI=1S/C29H32N2O2/c32-27(22-24-10-4-1-5-11-24)16-17-30-18-20-31(21-19-30)29(33)23-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,22,28,32H,16-21,23H2/b27-22-
InChIKeyURUVULBSFJANIB-QYQHSDTDSA-N
XLogP5.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[4-[(Z)-3-hydroxy-4-phenylbut-3-enyl]piperazin-1-yl]-3,3-diphenylpropan-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

1-(4-butylpiperazin-1-yl)-3,3-diphenylpropan-1-one
CID 20795205
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 35610560
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 14960357
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 67588371
N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide
CID 46700155
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one
CID 110708065
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
N-(methylcarbamoyl)-3-[4-(3-phenylbutanoyl)piperazin-1-yl]propanamide
CID 47532172
(3R)-3-(4-chlorophenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 26317426

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(Z)-3-hydroxy-4-phenylbut-3-enyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[4-[(Z)-3-hydroxy-4-phenylbut-3-enyl]piperazin-1-yl]-3,3-diphenylpropan-1-one (CID 142151557) is 1-[4-[(Z)-3-hydroxy-4-phenylbut-3-enyl]piperazin-1-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[4-[(Z)-3-hydroxy-4-phenylbut-3-enyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[4-[(Z)-3-hydroxy-4-phenylbut-3-enyl]piperazin-1-yl]-3,3-diphenylpropan-1-one is O=C(CC(c1ccccc1)c1ccccc1)N1CCN(CC/C(O)=C/c2ccccc2)CC1.
What is the InChIKey of 1-[4-[(Z)-3-hydroxy-4-phenylbut-3-enyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The InChIKey is URUVULBSFJANIB-QYQHSDTDSA-N. The full InChI is InChI=1S/C29H32N2O2/c32-27(22-24-10-4-1-5-11-24)16-17-30-18-20-31(21-19-30)29(33)23-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,22,28,32H,16-21,23H2/b27-22-.
What are the key properties of 1-[4-[(Z)-3-hydroxy-4-phenylbut-3-enyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
1-[4-[(Z)-3-hydroxy-4-phenylbut-3-enyl]piperazin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 440.59 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(Z)-3-hydroxy-4-phenylbut-3-enyl]piperazin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 142151557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).