6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one

C24H25FN2O4 — CID 154806885

IUPAC6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)C(C)O4)CC2)cc(C)c1F
InChIInChI=1S/C24H25FN2O4/c1-13-10-18(11-14(2)21(13)25)24(30)27-8-6-16(7-9-27)22(28)17-4-5-20-19(12-17)26-23(29)15(3)31-20/h4-5,10-12,15-16H,6-9H2,1-3H3,(H,26,29)
InChIKeyQWMJWNFOOLFCPJ-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.90
Rot. Bonds3

About 6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one

6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 154806885) has the molecular formula C24H25FN2O4 and a molecular weight of 424.47 g/mol. Its IUPAC name is 6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
PubChem CID154806885
Molecular FormulaC24H25FN2O4
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)C(C)O4)CC2)cc(C)c1F
InChIInChI=1S/C24H25FN2O4/c1-13-10-18(11-14(2)21(13)25)24(30)27-8-6-16(7-9-27)22(28)17-4-5-20-19(12-17)26-23(29)15(3)31-20/h4-5,10-12,15-16H,6-9H2,1-3H3,(H,26,29)
InChIKeyQWMJWNFOOLFCPJ-UHFFFAOYSA-N
XLogP3.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-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

6-[1-[(2R)-2-aminopropanoyl]piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 119316472
2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110683016
6-[1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carbonyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 154862512
4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)-N'-(naphthalene-2-carbonyl)piperidine-1-carbohydrazide
CID 166186885
6-[1-(3-aminocyclohexanecarbonyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 119771370
6-(4-acetyl-1,4-diazepane-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 110805560
2-methyl-6-(pyrrolidine-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 116916888
2-[4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 133361121
6-(1-acetylpiperidine-4-carbonyl)-2-ethyl-4H-1,4-benzoxazin-3-one
CID 110220429
6-(2,2-dimethylcyclopropanecarbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 107000710
2-methyl-6-[4-(3-methylbutanoyl)-1,4-diazepane-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 110806909
2-methyl-6-(2-methyloxolane-3-carbonyl)-4H-1,4-benzoxazin-3-one
CID 79759663

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one (CID 154806885) is 6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one is Cc1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)C(C)O4)CC2)cc(C)c1F.
What is the InChIKey of 6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is QWMJWNFOOLFCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4/c1-13-10-18(11-14(2)21(13)25)24(30)27-8-6-16(7-9-27)22(28)17-4-5-20-19(12-17)26-23(29)15(3)31-20/h4-5,10-12,15-16H,6-9H2,1-3H3,(H,26,29).
What are the key properties of 6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one?
6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 424.47 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-fluoro-3,5-dimethylbenzoyl)piperidine-4-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 154806885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).