3-[4-(difluoromethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C16H17F2N3O2 — CID 136515754

IUPAC3-[4-(difluoromethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCC(C(F)F)CC3)c(=O)n2c1
InChIInChI=1S/C16H17F2N3O2/c1-10-2-3-13-19-8-12(16(23)21(13)9-10)15(22)20-6-4-11(5-7-20)14(17)18/h2-3,8-9,11,14H,4-7H2,1H3
InChIKeyJLFUQDWSAQNHGT-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.12
Rot. Bonds2

About 3-[4-(difluoromethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

3-[4-(difluoromethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 136515754) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 3-[4-(difluoromethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(difluoromethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID136515754
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name3-[4-(difluoromethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C(=O)N3CCC(C(F)F)CC3)c(=O)n2c1
InChIInChI=1S/C16H17F2N3O2/c1-10-2-3-13-19-8-12(16(23)21(13)9-10)15(22)20-6-4-11(5-7-20)14(17)18/h2-3,8-9,11,14H,4-7H2,1H3
InChIKeyJLFUQDWSAQNHGT-UHFFFAOYSA-N
XLogP2.12
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[4-(difluoromethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 136515754) is 3-[4-(difluoromethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(difluoromethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[4-(difluoromethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2ncc(C(=O)N3CCC(C(F)F)CC3)c(=O)n2c1.
What is the InChIKey of 3-[4-(difluoromethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JLFUQDWSAQNHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-10-2-3-13-19-8-12(16(23)21(13)9-10)15(22)20-6-4-11(5-7-20)14(17)18/h2-3,8-9,11,14H,4-7H2,1H3.
What are the key properties of 3-[4-(difluoromethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
3-[4-(difluoromethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 321.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethyl)piperidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 136515754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).