2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C16H21N3O2 — CID 60647431

IUPAC2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCCC(CO)C3)nc12
InChIInChI=1S/C16H21N3O2/c1-12-4-2-7-19-15(21)8-14(17-16(12)19)10-18-6-3-5-13(9-18)11-20/h2,4,7-8,13,20H,3,5-6,9-11H2,1H3
InChIKeyMWLQTXYSYSFQKV-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.21
Rot. Bonds3

About 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 60647431) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID60647431
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCCC(CO)C3)nc12
InChIInChI=1S/C16H21N3O2/c1-12-4-2-7-19-15(21)8-14(17-16(12)19)10-18-6-3-5-13(9-18)11-20/h2,4,7-8,13,20H,3,5-6,9-11H2,1H3
InChIKeyMWLQTXYSYSFQKV-UHFFFAOYSA-N
XLogP1.21
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 60647431) is 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN3CCCC(CO)C3)nc12.
What is the InChIKey of 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MWLQTXYSYSFQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-4-2-7-19-15(21)8-14(17-16(12)19)10-18-6-3-5-13(9-18)11-20/h2,4,7-8,13,20H,3,5-6,9-11H2,1H3.
What are the key properties of 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 287.36 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60647431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).