3-[1-(2-fluorobenzoyl)piperidin-3-yl]-5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one

C23H26FN3O2S — CID 46952572

IUPAC3-[1-(2-fluorobenzoyl)piperidin-3-yl]-5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(C(C)C)n(C3CCCN(C(=O)c4ccccc4F)C3)c(=O)c2c1C
InChIInChI=1S/C23H26FN3O2S/c1-13(2)20-25-21-19(14(3)15(4)30-21)23(29)27(20)16-8-7-11-26(12-16)22(28)17-9-5-6-10-18(17)24/h5-6,9-10,13,16H,7-8,11-12H2,1-4H3
InChIKeyHIFKYWROWXMCNR-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.81
Rot. Bonds3

About 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one

3-[1-(2-fluorobenzoyl)piperidin-3-yl]-5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one (PubChem CID 46952572) has the molecular formula C23H26FN3O2S and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[1-(2-fluorobenzoyl)piperidin-3-yl]-5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one
PubChem CID46952572
Molecular FormulaC23H26FN3O2S
Molecular Weight427.55 g/mol
Exact Mass427.17
IUPAC Name3-[1-(2-fluorobenzoyl)piperidin-3-yl]-5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(C(C)C)n(C3CCCN(C(=O)c4ccccc4F)C3)c(=O)c2c1C
InChIInChI=1S/C23H26FN3O2S/c1-13(2)20-25-21-19(14(3)15(4)30-21)23(29)27(20)16-8-7-11-26(12-16)22(28)17-9-5-6-10-18(17)24/h5-6,9-10,13,16H,7-8,11-12H2,1-4H3
InChIKeyHIFKYWROWXMCNR-UHFFFAOYSA-N
XLogP4.81
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

(2-fluorophenyl)-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 1466676
2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 95797622
2,5,6-trimethyl-3-[1-[(2S)-2-phenylpropanoyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one
CID 51494309
2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136735563
5-[1-(2-fluorobenzoyl)piperidin-3-yl]-3,4-dimethyl-1-phenyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 134800810
1-tert-butyl-3-[(1S)-1-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]ethyl]urea
CID 95632703
2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,5-difluorophenyl)propanamide
CID 46623407
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
(3S)-1-(3-fluoro-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 122107144
6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125019436
(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367783
3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 110109938

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one (CID 46952572) is 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(C(C)C)n(C3CCCN(C(=O)c4ccccc4F)C3)c(=O)c2c1C.
What is the InChIKey of 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is HIFKYWROWXMCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2S/c1-13(2)20-25-21-19(14(3)15(4)30-21)23(29)27(20)16-8-7-11-26(12-16)22(28)17-9-5-6-10-18(17)24/h5-6,9-10,13,16H,7-8,11-12H2,1-4H3.
What are the key properties of 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one?
3-[1-(2-fluorobenzoyl)piperidin-3-yl]-5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 427.55 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorobenzoyl)piperidin-3-yl]-5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 46952572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).