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

C15H15ClF3N3O — CID 47010866

IUPAC7-chloro-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCCC(C(F)(F)F)C2)nc2ccc(Cl)cn12
InChIInChI=1S/C15H15ClF3N3O/c16-11-3-4-13-20-12(6-14(23)22(13)8-11)9-21-5-1-2-10(7-21)15(17,18)19/h3-4,6,8,10H,1-2,5,7,9H2
InChIKeyHLXCMKIRMVZCSU-UHFFFAOYSA-N
MW345.75 g/mol
LogP3.12
Rot. Bonds2

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

7-chloro-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 47010866) has the molecular formula C15H15ClF3N3O and a molecular weight of 345.75 g/mol. Its IUPAC name is 7-chloro-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID47010866
Molecular FormulaC15H15ClF3N3O
Molecular Weight345.75 g/mol
Exact Mass345.09
IUPAC Name7-chloro-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCCC(C(F)(F)F)C2)nc2ccc(Cl)cn12
InChIInChI=1S/C15H15ClF3N3O/c16-11-3-4-13-20-12(6-14(23)22(13)8-11)9-21-5-1-2-10(7-21)15(17,18)19/h3-4,6,8,10H,1-2,5,7,9H2
InChIKeyHLXCMKIRMVZCSU-UHFFFAOYSA-N
XLogP3.12
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 47010866) is 7-chloro-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCCC(C(F)(F)F)C2)nc2ccc(Cl)cn12.
What is the InChIKey of 7-chloro-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HLXCMKIRMVZCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O/c16-11-3-4-13-20-12(6-14(23)22(13)8-11)9-21-5-1-2-10(7-21)15(17,18)19/h3-4,6,8,10H,1-2,5,7,9H2.
What are the key properties of 7-chloro-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 345.75 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47010866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).