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

C15H18ClN3O3 — CID 56896238

IUPAC7-chloro-2-[[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCCC(O)(CO)C2)nc2ccc(Cl)cn12
InChIInChI=1S/C15H18ClN3O3/c16-11-2-3-13-17-12(6-14(21)19(13)7-11)8-18-5-1-4-15(22,9-18)10-20/h2-3,6-7,20,22H,1,4-5,8-10H2
InChIKeyOYTVGBADYKNPAP-UHFFFAOYSA-N
MW323.78 g/mol
LogP0.67
Rot. Bonds3

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

7-chloro-2-[[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 56896238) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 7-chloro-2-[[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID56896238
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name7-chloro-2-[[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCCC(O)(CO)C2)nc2ccc(Cl)cn12
InChIInChI=1S/C15H18ClN3O3/c16-11-2-3-13-17-12(6-14(21)19(13)7-11)8-18-5-1-4-15(22,9-18)10-20/h2-3,6-7,20,22H,1,4-5,8-10H2
InChIKeyOYTVGBADYKNPAP-UHFFFAOYSA-N
XLogP0.67
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 56896238) is 7-chloro-2-[[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCCC(O)(CO)C2)nc2ccc(Cl)cn12.
What is the InChIKey of 7-chloro-2-[[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OYTVGBADYKNPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c16-11-2-3-13-17-12(6-14(21)19(13)7-11)8-18-5-1-4-15(22,9-18)10-20/h2-3,6-7,20,22H,1,4-5,8-10H2.
What are the key properties of 7-chloro-2-[[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 323.78 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56896238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).