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

C16H21N3O2 — CID 60685088

IUPAC2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCCCC3CO)nc12
InChIInChI=1S/C16H21N3O2/c1-12-5-4-8-19-15(21)9-13(17-16(12)19)10-18-7-3-2-6-14(18)11-20/h4-5,8-9,14,20H,2-3,6-7,10-11H2,1H3
InChIKeyCQUXMHCYQJQGTF-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.35
Rot. Bonds3

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

2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 60685088) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID60685088
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCCCC3CO)nc12
InChIInChI=1S/C16H21N3O2/c1-12-5-4-8-19-15(21)9-13(17-16(12)19)10-18-7-3-2-6-14(18)11-20/h4-5,8-9,14,20H,2-3,6-7,10-11H2,1H3
InChIKeyCQUXMHCYQJQGTF-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-Hydroxypiperidin-1-yl)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 390352
2-{[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 128986784
2-[(4-Hydroxypiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 42891687
2-[(3R)-4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 89741492
2-[2-(Hydroxymethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 123973052
9-Methyl-2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42916697
2-[[Ethyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 43074734
3-[2-(Hydroxymethyl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 43421147
2-[(3-Hydroxypiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 45769228
2-[[2-(Hydroxymethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 45798597
2-[(3-Hydroxypiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 47106935
2-(2,3,4a,5,6,7,8,8a-Octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 48097615

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 60685088) is 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN3CCCCC3CO)nc12.
What is the InChIKey of 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CQUXMHCYQJQGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-5-4-8-19-15(21)9-13(17-16(12)19)10-18-7-3-2-6-14(18)11-20/h4-5,8-9,14,20H,2-3,6-7,10-11H2,1H3.
What are the key properties of 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 287.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60685088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).