2-[1-(2-fluorobenzoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C20H23FN4O2 — CID 136795629

IUPAC2-[1-(2-fluorobenzoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCN1CCc2c(nc(C3CCN(C(=O)c4ccccc4F)CC3)[nH]c2=O)C1
InChIInChI=1S/C20H23FN4O2/c1-24-9-8-15-17(12-24)22-18(23-19(15)26)13-6-10-25(11-7-13)20(27)14-4-2-3-5-16(14)21/h2-5,13H,6-12H2,1H3,(H,22,23,26)
InChIKeyNDQONBKHPFDNGK-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.92
Rot. Bonds2

About 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-[1-(2-fluorobenzoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136795629) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(2-fluorobenzoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136795629
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name2-[1-(2-fluorobenzoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCN1CCc2c(nc(C3CCN(C(=O)c4ccccc4F)CC3)[nH]c2=O)C1
InChIInChI=1S/C20H23FN4O2/c1-24-9-8-15-17(12-24)22-18(23-19(15)26)13-6-10-25(11-7-13)20(27)14-4-2-3-5-16(14)21/h2-5,13H,6-12H2,1H3,(H,22,23,26)
InChIKeyNDQONBKHPFDNGK-UHFFFAOYSA-N
XLogP1.92
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-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

Pirenperone
CID 4847
2-(4-benzoyl-1-methylpiperazin-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677544
2-{[4-(2-Ethylbutanoyl)piperazin-1-YL]methyl}-3H-quinazolin-4-one
CID 135429226
2-[(2S)-1-benzoylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 56597967
2-(3-(4-(4-Fluorophenyl)piperazin-1-yl)-3-oxopropyl)quinazolin-4(3H)-one
CID 135457269
2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-methylquinazolin-4-one
CID 153574202
2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylquinazolin-4-one
CID 153574348
4-(4-fluoro-3-(4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-5-yl)piperazine-1-carbonyl) benzyl)phthalazin-1(2H)-one
CID 138374928
3-(2-(4-(4-Fluorobenzoyl)-1-piperidinyl)ethyl)-2,7-dimethyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 72005
4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
4-fluoro-N-(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 802655
4-methyl-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2233906

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136795629) is 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CN1CCc2c(nc(C3CCN(C(=O)c4ccccc4F)CC3)[nH]c2=O)C1.
What is the InChIKey of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is NDQONBKHPFDNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-24-9-8-15-17(12-24)22-18(23-19(15)26)13-6-10-25(11-7-13)20(27)14-4-2-3-5-16(14)21/h2-5,13H,6-12H2,1H3,(H,22,23,26).
What are the key properties of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 370.43 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-7-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136795629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).