phenyl-[3-[3-(4-phenylpiperazin-1-yl)prop-2-enyl]phenyl]methanone

C26H26N2O — CID 173449630

IUPACphenyl-[3-[3-(4-phenylpiperazin-1-yl)prop-2-enyl]phenyl]methanone
SMILESO=C(c1ccccc1)c1cccc(CC=CN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C26H26N2O/c29-26(23-11-3-1-4-12-23)24-13-7-9-22(21-24)10-8-16-27-17-19-28(20-18-27)25-14-5-2-6-15-25/h1-9,11-16,21H,10,17-20H2
InChIKeyUCVADEKMNMYTDA-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.80
Rot. Bonds6

About phenyl-[3-[3-(4-phenylpiperazin-1-yl)prop-2-enyl]phenyl]methanone

phenyl-[3-[3-(4-phenylpiperazin-1-yl)prop-2-enyl]phenyl]methanone (PubChem CID 173449630) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is phenyl-[3-[3-(4-phenylpiperazin-1-yl)prop-2-enyl]phenyl]methanone.

Molecular Properties

Compound Namephenyl-[3-[3-(4-phenylpiperazin-1-yl)prop-2-enyl]phenyl]methanone
PubChem CID173449630
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Namephenyl-[3-[3-(4-phenylpiperazin-1-yl)prop-2-enyl]phenyl]methanone
SMILESO=C(c1ccccc1)c1cccc(CC=CN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C26H26N2O/c29-26(23-11-3-1-4-12-23)24-13-7-9-22(21-24)10-8-16-27-17-19-28(20-18-27)25-14-5-2-6-15-25/h1-9,11-16,21H,10,17-20H2
InChIKeyUCVADEKMNMYTDA-UHFFFAOYSA-N
XLogP4.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze phenyl-[3-[3-(4-phenylpiperazin-1-yl)prop-2-enyl]phenyl]methanone 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-(aziridin-1-yl)phenyl]-phenylmethanone
CID 102156745
(Z)-5-phenyl-1-(4-phenylpiperazin-1-yl)pent-3-en-1-one
CID 143517257
[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24724838
[3-(chloromethyl)phenyl]-phenylmethanone
CID 12677421
(E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[3-[(4-phenylpiperazin-1-yl)methyl]phenyl]prop-1-enyl]phenyl]prop-2-enamide
CID 25207493
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949450
3-[(4-phenylpiperazin-1-yl)methyl]benzenecarbothioamide
CID 39160651
N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 91394219
N-(5-benzoyl-2-morpholin-4-ylphenyl)-2-phenylacetamide
CID 2204318
1-(3-benzoylphenyl)propan-2-one;ethane
CID 144625692
3-[4-(4-benzylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051570

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-[3-(4-phenylpiperazin-1-yl)prop-2-enyl]phenyl]methanone?
The IUPAC name of phenyl-[3-[3-(4-phenylpiperazin-1-yl)prop-2-enyl]phenyl]methanone (CID 173449630) is phenyl-[3-[3-(4-phenylpiperazin-1-yl)prop-2-enyl]phenyl]methanone.
What is the SMILES notation for phenyl-[3-[3-(4-phenylpiperazin-1-yl)prop-2-enyl]phenyl]methanone?
The canonical SMILES for phenyl-[3-[3-(4-phenylpiperazin-1-yl)prop-2-enyl]phenyl]methanone is O=C(c1ccccc1)c1cccc(CC=CN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of phenyl-[3-[3-(4-phenylpiperazin-1-yl)prop-2-enyl]phenyl]methanone?
The InChIKey is UCVADEKMNMYTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c29-26(23-11-3-1-4-12-23)24-13-7-9-22(21-24)10-8-16-27-17-19-28(20-18-27)25-14-5-2-6-15-25/h1-9,11-16,21H,10,17-20H2.
What are the key properties of phenyl-[3-[3-(4-phenylpiperazin-1-yl)prop-2-enyl]phenyl]methanone?
phenyl-[3-[3-(4-phenylpiperazin-1-yl)prop-2-enyl]phenyl]methanone has a molecular weight of 382.51 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-[3-(4-phenylpiperazin-1-yl)prop-2-enyl]phenyl]methanone is sourced from PubChem (CID 173449630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).