3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C22H20F3N3O3 — CID 175952334

IUPAC3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOC1CCN(C(=O)c2ccc(-c3c(C(F)(F)F)nc4ccccn4c3=O)cc2)CC1
InChIInChI=1S/C22H20F3N3O3/c1-31-16-9-12-27(13-10-16)20(29)15-7-5-14(6-8-15)18-19(22(23,24)25)26-17-4-2-3-11-28(17)21(18)30/h2-8,11,16H,9-10,12-13H2,1H3
InChIKeyFORVNPVUTCRVRN-UHFFFAOYSA-N
MW431.41 g/mol
LogP3.63
Rot. Bonds3

About 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 175952334) has the molecular formula C22H20F3N3O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID175952334
Molecular FormulaC22H20F3N3O3
Molecular Weight431.41 g/mol
Exact Mass431.15
IUPAC Name3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOC1CCN(C(=O)c2ccc(-c3c(C(F)(F)F)nc4ccccn4c3=O)cc2)CC1
InChIInChI=1S/C22H20F3N3O3/c1-31-16-9-12-27(13-10-16)20(29)15-7-5-14(6-8-15)18-19(22(23,24)25)26-17-4-2-3-11-28(17)21(18)30/h2-8,11,16H,9-10,12-13H2,1H3
InChIKeyFORVNPVUTCRVRN-UHFFFAOYSA-N
XLogP3.63
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 42933128
cyclopropane;[5-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid
CID 90106916
2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 74953794
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293
(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 113355600
3-methyl-9-[4-(morpholine-4-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 138532197
N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide
CID 43373259
[4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride
CID 119275334
3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-1-quinolin-2-ylprop-2-en-1-one
CID 67013153
4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 56810545
2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
tert-butyl 3-[4-(4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)anilino]pyrrolidine-1-carboxylate
CID 59778097

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 175952334) is 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is COC1CCN(C(=O)c2ccc(-c3c(C(F)(F)F)nc4ccccn4c3=O)cc2)CC1.
What is the InChIKey of 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FORVNPVUTCRVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3/c1-31-16-9-12-27(13-10-16)20(29)15-7-5-14(6-8-15)18-19(22(23,24)25)26-17-4-2-3-11-28(17)21(18)30/h2-8,11,16H,9-10,12-13H2,1H3.
What are the key properties of 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 431.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxypiperidine-1-carbonyl)phenyl]-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 175952334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).