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

C15H18ClN3O — CID 18087390

IUPAC7-chloro-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCCN1Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C15H18ClN3O/c1-11-4-2-3-7-18(11)10-13-8-15(20)19-9-12(16)5-6-14(19)17-13/h5-6,8-9,11H,2-4,7,10H2,1H3
InChIKeyMHMVGYMCWQSOIW-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.72
Rot. Bonds2

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

7-chloro-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 18087390) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 7-chloro-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID18087390
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name7-chloro-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCCN1Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C15H18ClN3O/c1-11-4-2-3-7-18(11)10-13-8-15(20)19-9-12(16)5-6-14(19)17-13/h5-6,8-9,11H,2-4,7,10H2,1H3
InChIKeyMHMVGYMCWQSOIW-UHFFFAOYSA-N
XLogP2.72
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 18087390) is 7-chloro-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is CC1CCCCN1Cc1cc(=O)n2cc(Cl)ccc2n1.
What is the InChIKey of 7-chloro-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MHMVGYMCWQSOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11-4-2-3-7-18(11)10-13-8-15(20)19-9-12(16)5-6-14(19)17-13/h5-6,8-9,11H,2-4,7,10H2,1H3.
What are the key properties of 7-chloro-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 291.78 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18087390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).