9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H18F3N3O — CID 92861380

IUPAC9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCC[C@@H](C(F)(F)F)C3)nc12
InChIInChI=1S/C16H18F3N3O/c1-11-4-2-7-22-14(23)8-13(20-15(11)22)10-21-6-3-5-12(9-21)16(17,18)19/h2,4,7-8,12H,3,5-6,9-10H2,1H3/t12-/m1/s1
InChIKeyCXSKFMHKLNVFDW-GFCCVEGCSA-N
MW325.33 g/mol
LogP2.78
Rot. Bonds2

About 9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 92861380) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID92861380
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCC[C@@H](C(F)(F)F)C3)nc12
InChIInChI=1S/C16H18F3N3O/c1-11-4-2-7-22-14(23)8-13(20-15(11)22)10-21-6-3-5-12(9-21)16(17,18)19/h2,4,7-8,12H,3,5-6,9-10H2,1H3/t12-/m1/s1
InChIKeyCXSKFMHKLNVFDW-GFCCVEGCSA-N
XLogP2.78
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 119925708
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 62062893
2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115966901
9-methyl-2-[[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95283627
2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119924132
2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 75463124
2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 71878633
9-methyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 46631682
2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 92861391
2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 55626202
9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 47055883
9-methyl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 9119024

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 92861380) is 9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN3CCC[C@@H](C(F)(F)F)C3)nc12.
What is the InChIKey of 9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CXSKFMHKLNVFDW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-11-4-2-7-22-14(23)8-13(20-15(11)22)10-21-6-3-5-12(9-21)16(17,18)19/h2,4,7-8,12H,3,5-6,9-10H2,1H3/t12-/m1/s1.
What are the key properties of 9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 325.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 92861380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).