9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

C14H16ClN3O — CID 115054752

IUPAC9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CC2CCNCC2)nc2c(Cl)cccn12
InChIInChI=1S/C14H16ClN3O/c15-12-2-1-7-18-13(19)9-11(17-14(12)18)8-10-3-5-16-6-4-10/h1-2,7,9-10,16H,3-6,8H2
InChIKeyTTWVABFNBVKCBP-UHFFFAOYSA-N
MW277.75 g/mol
LogP1.89
Rot. Bonds2

About 9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one

9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054752) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID115054752
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CC2CCNCC2)nc2c(Cl)cccn12
InChIInChI=1S/C14H16ClN3O/c15-12-2-1-7-18-13(19)9-11(17-14(12)18)8-10-3-5-16-6-4-10/h1-2,7,9-10,16H,3-6,8H2
InChIKeyTTWVABFNBVKCBP-UHFFFAOYSA-N
XLogP1.89
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054753
2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115053369
9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054776
9-chloro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115046566
2-(piperidin-4-ylmethyl)-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054700
7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054647
8-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine
CID 105492803
9-methyl-2-[[piperidin-4-yl(propyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 119933028
8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054694
1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117254778
2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117136126
9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115038189

Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one (CID 115054752) is 9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CC2CCNCC2)nc2c(Cl)cccn12.
What is the InChIKey of 9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is TTWVABFNBVKCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-12-2-1-7-18-13(19)9-11(17-14(12)18)8-10-3-5-16-6-4-10/h1-2,7,9-10,16H,3-6,8H2.
What are the key properties of 9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one?
9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 277.75 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).