(3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one

C15H17FN2O2 — CID 93321778

IUPAC(3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
SMILESC[C@H]1C(=O)N(c2ccc(F)cc2)CCN1C(=O)C1CC1
InChIInChI=1S/C15H17FN2O2/c1-10-14(19)18(13-6-4-12(16)5-7-13)9-8-17(10)15(20)11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3/t10-/m0/s1
InChIKeyZGJIOEWSWAADBO-JTQLQIEISA-N
MW276.31 g/mol
LogP1.80
Rot. Bonds2

About (3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one

(3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one (PubChem CID 93321778) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is (3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
PubChem CID93321778
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name(3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
SMILESC[C@H]1C(=O)N(c2ccc(F)cc2)CCN1C(=O)C1CC1
InChIInChI=1S/C15H17FN2O2/c1-10-14(19)18(13-6-4-12(16)5-7-13)9-8-17(10)15(20)11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3/t10-/m0/s1
InChIKeyZGJIOEWSWAADBO-JTQLQIEISA-N
XLogP1.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-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

(3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 93322251
4-(cyclopropanecarbonyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 24715846
4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one
CID 24716171
1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one
CID 24715924
4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one
CID 24716134
(3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 93292545
(3R)-4-(3,4-dichlorobenzoyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
CID 93322535
1-(4-fluorophenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 24716469
(3R)-1-(3,4-dimethylphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93292457
1-(3-bromophenyl)-4-(cyclobutanecarbonyl)-3-methylpiperazin-2-one
CID 46743928
(3S)-1-(3,5-dimethylphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93292634
4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 24716337

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one?
The IUPAC name of (3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one (CID 93321778) is (3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for (3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one?
The canonical SMILES for (3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one is C[C@H]1C(=O)N(c2ccc(F)cc2)CCN1C(=O)C1CC1.
What is the InChIKey of (3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one?
The InChIKey is ZGJIOEWSWAADBO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-14(19)18(13-6-4-12(16)5-7-13)9-8-17(10)15(20)11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one?
(3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one has a molecular weight of 276.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 93321778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).