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

C14H16ClN3O2 — CID 47014303

IUPAC7-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCCC(CO)C2)nc2ccc(Cl)cn12
InChIInChI=1S/C14H16ClN3O2/c15-11-3-4-12-16-13(6-14(20)18(12)8-11)17-5-1-2-10(7-17)9-19/h3-4,6,8,10,19H,1-2,5,7,9H2
InChIKeyVRVPXQQBOMYZFZ-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.56
Rot. Bonds2

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

7-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 47014303) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 7-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID47014303
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name7-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CCCC(CO)C2)nc2ccc(Cl)cn12
InChIInChI=1S/C14H16ClN3O2/c15-11-3-4-12-16-13(6-14(20)18(12)8-11)17-5-1-2-10(7-17)9-19/h3-4,6,8,10,19H,1-2,5,7,9H2
InChIKeyVRVPXQQBOMYZFZ-UHFFFAOYSA-N
XLogP1.56
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 47014303) is 7-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(N2CCCC(CO)C2)nc2ccc(Cl)cn12.
What is the InChIKey of 7-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VRVPXQQBOMYZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-11-3-4-12-16-13(6-14(20)18(12)8-11)17-5-1-2-10(7-17)9-19/h3-4,6,8,10,19H,1-2,5,7,9H2.
What are the key properties of 7-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 293.75 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47014303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).