(Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one

C25H30FN3O2 — CID 42532617

IUPAC(Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
SMILESCOc1ccccc1N1CCN([C@H]2CCCN(C(=O)/C(F)=C/c3ccccc3)C2)CC1
InChIInChI=1S/C25H30FN3O2/c1-31-24-12-6-5-11-23(24)28-16-14-27(15-17-28)21-10-7-13-29(19-21)25(30)22(26)18-20-8-3-2-4-9-20/h2-6,8-9,11-12,18,21H,7,10,13-17,19H2,1H3/b22-18-/t21-/m0/s1
InChIKeyJGGJMODYEXYZLH-UEBMVEOSSA-N
MW423.53 g/mol
LogP3.82
Rot. Bonds5

About (Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one

(Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one (PubChem CID 42532617) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is (Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
PubChem CID42532617
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC Name(Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
SMILESCOc1ccccc1N1CCN([C@H]2CCCN(C(=O)/C(F)=C/c3ccccc3)C2)CC1
InChIInChI=1S/C25H30FN3O2/c1-31-24-12-6-5-11-23(24)28-16-14-27(15-17-28)21-10-7-13-29(19-21)25(30)22(26)18-20-8-3-2-4-9-20/h2-6,8-9,11-12,18,21H,7,10,13-17,19H2,1H3/b22-18-/t21-/m0/s1
InChIKeyJGGJMODYEXYZLH-UEBMVEOSSA-N
XLogP3.82
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-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

1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 24719056
cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24719059
cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42567976
[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 42101485
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 45175750
(2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288079
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 45249744
3-(3-fluorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 45200463
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 45187407
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 42519173
(1,5-dimethylpyrazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 45181195

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one (CID 42532617) is (Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one is COc1ccccc1N1CCN([C@H]2CCCN(C(=O)/C(F)=C/c3ccccc3)C2)CC1.
What is the InChIKey of (Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one?
The InChIKey is JGGJMODYEXYZLH-UEBMVEOSSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-31-24-12-6-5-11-23(24)28-16-14-27(15-17-28)21-10-7-13-29(19-21)25(30)22(26)18-20-8-3-2-4-9-20/h2-6,8-9,11-12,18,21H,7,10,13-17,19H2,1H3/b22-18-/t21-/m0/s1.
What are the key properties of (Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one?
(Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one has a molecular weight of 423.53 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 42532617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).