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

C16H18F3N3O — CID 92517287

IUPAC7-methyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCC[C@H](C(F)(F)F)C3)cc(=O)n2c1
InChIInChI=1S/C16H18F3N3O/c1-11-4-5-14-20-13(7-15(23)22(14)8-11)10-21-6-2-3-12(9-21)16(17,18)19/h4-5,7-8,12H,2-3,6,9-10H2,1H3/t12-/m0/s1
InChIKeyJLBYNIQQLNKNLF-LBPRGKRZSA-N
MW325.33 g/mol
LogP2.78
Rot. Bonds2

About 7-methyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 92517287) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 7-methyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID92517287
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name7-methyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCC[C@H](C(F)(F)F)C3)cc(=O)n2c1
InChIInChI=1S/C16H18F3N3O/c1-11-4-5-14-20-13(7-15(23)22(14)8-11)10-21-6-2-3-12(9-21)16(17,18)19/h4-5,7-8,12H,2-3,6,9-10H2,1H3/t12-/m0/s1
InChIKeyJLBYNIQQLNKNLF-LBPRGKRZSA-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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 92517287) is 7-methyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN3CCC[C@H](C(F)(F)F)C3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JLBYNIQQLNKNLF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-11-4-5-14-20-13(7-15(23)22(14)8-11)10-21-6-2-3-12(9-21)16(17,18)19/h4-5,7-8,12H,2-3,6,9-10H2,1H3/t12-/m0/s1.
What are the key properties of 7-methyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[[(3S)-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 7-methyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 92517287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).