3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one

C23H25FN4O2 — CID 46349884

IUPAC3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
SMILESO=C1Nc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2N2CCCCC12
InChIInChI=1S/C23H25FN4O2/c24-17-5-7-18(8-6-17)26-11-13-27(14-12-26)23(30)16-4-9-20-19(15-16)25-22(29)21-3-1-2-10-28(20)21/h4-9,15,21H,1-3,10-14H2,(H,25,29)
InChIKeyYMOHGRAHCHJNGD-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.10
Rot. Bonds2

About 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one

3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one (PubChem CID 46349884) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
PubChem CID46349884
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
SMILESO=C1Nc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2N2CCCCC12
InChIInChI=1S/C23H25FN4O2/c24-17-5-7-18(8-6-17)26-11-13-27(14-12-26)23(30)16-4-9-20-19(15-16)25-22(29)21-3-1-2-10-28(20)21/h4-9,15,21H,1-3,10-14H2,(H,25,29)
InChIKeyYMOHGRAHCHJNGD-UHFFFAOYSA-N
XLogP3.10
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-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

(6aR)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 92726229
(6aS)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 92726222
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 46349925
N-[(4-fluorophenyl)methyl]-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 46349902
(6aS)-N-[(4-fluorophenyl)methyl]-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 92726258
(3aR)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid
CID 1487670
N-cycloheptyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 46349891
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
CID 109051662
[4-(4-fluorophenyl)piperazin-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone
CID 7494443
N-benzyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 46349889
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
(3aR)-N-(4-methylsulfanylphenyl)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 9297945

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one (CID 46349884) is 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one is O=C1Nc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2N2CCCCC12.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The InChIKey is YMOHGRAHCHJNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-17-5-7-18(8-6-17)26-11-13-27(14-12-26)23(30)16-4-9-20-19(15-16)25-22(29)21-3-1-2-10-28(20)21/h4-9,15,21H,1-3,10-14H2,(H,25,29).
What are the key properties of 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one has a molecular weight of 408.48 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one is sourced from PubChem (CID 46349884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).