1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione

C22H23FN2O4 — CID 110426013

IUPAC1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
SMILESCOc1ccc(C(=O)CCCC(=O)N2CCNC(=O)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C22H23FN2O4/c1-29-18-11-7-15(8-12-18)19(26)3-2-4-20(27)25-14-13-24-22(28)21(25)16-5-9-17(23)10-6-16/h5-12,21H,2-4,13-14H2,1H3,(H,24,28)
InChIKeyRBJUYINIZGKPFF-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.89
Rot. Bonds7

About 1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione

1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione (PubChem CID 110426013) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
PubChem CID110426013
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
SMILESCOc1ccc(C(=O)CCCC(=O)N2CCNC(=O)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C22H23FN2O4/c1-29-18-11-7-15(8-12-18)19(26)3-2-4-20(27)25-14-13-24-22(28)21(25)16-5-9-17(23)10-6-16/h5-12,21H,2-4,13-14H2,1H3,(H,24,28)
InChIKeyRBJUYINIZGKPFF-UHFFFAOYSA-N
XLogP2.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione 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-fluorophenyl)-4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]butane-1,4-dione
CID 110426009
4-[2-(4-fluorophenyl)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110420396
3-(4-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoyl]piperazin-2-one
CID 110420424
methyl 4-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutanoate
CID 110669941
3-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-3-methylbutanoyl]piperazin-2-one
CID 110620016
4-[2-(4-chlorophenoxy)acetyl]-3-(4-methoxyphenyl)piperazin-2-one
CID 110644941
4-(3,5-dimethoxybenzoyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644929
1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
CID 120737260
1-(2,3-dimethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 120569587
3-(4-methoxyphenyl)-4-(2,3,4-trifluorobenzoyl)piperazin-2-one
CID 110420415
3-(4-fluorophenyl)-4-(5-thiophen-2-ylpentanoyl)piperazin-2-one
CID 110619051
4-(adamantane-1-carbonyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644969

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione?
The IUPAC name of 1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione (CID 110426013) is 1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione?
The canonical SMILES for 1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione is COc1ccc(C(=O)CCCC(=O)N2CCNC(=O)C2c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione?
The InChIKey is RBJUYINIZGKPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-29-18-11-7-15(8-12-18)19(26)3-2-4-20(27)25-14-13-24-22(28)21(25)16-5-9-17(23)10-6-16/h5-12,21H,2-4,13-14H2,1H3,(H,24,28).
What are the key properties of 1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione?
1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione has a molecular weight of 398.43 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione is sourced from PubChem (CID 110426013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).