2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C15H19N3O2 — CID 107226148

IUPAC2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CN3CCC[C@H](O)C3)nc2c1
InChIInChI=1S/C15H19N3O2/c1-11-4-6-18-14(7-11)16-12(8-15(18)20)9-17-5-2-3-13(19)10-17/h4,6-8,13,19H,2-3,5,9-10H2,1H3/t13-/m0/s1
InChIKeyFDLWBPLAXUHQPE-ZDUSSCGKSA-N
MW273.34 g/mol
LogP0.96
Rot. Bonds2

About 2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 107226148) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID107226148
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CN3CCC[C@H](O)C3)nc2c1
InChIInChI=1S/C15H19N3O2/c1-11-4-6-18-14(7-11)16-12(8-15(18)20)9-17-5-2-3-13(19)10-17/h4,6-8,13,19H,2-3,5,9-10H2,1H3/t13-/m0/s1
InChIKeyFDLWBPLAXUHQPE-ZDUSSCGKSA-N
XLogP0.96
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

8-methyl-2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 104975286
2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 91840830
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 60917102
2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 97199455
8-methyl-2-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;dihydrochloride
CID 154920478
2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 103729356
7-[(3-hydroxypiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47103117
(3aS,7aR)-2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98322562
2-[(4-hydroxypiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42883595
2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 64980823
8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054694
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 107226148) is 2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)cc(CN3CCC[C@H](O)C3)nc2c1.
What is the InChIKey of 2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FDLWBPLAXUHQPE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-4-6-18-14(7-11)16-12(8-15(18)20)9-17-5-2-3-13(19)10-17/h4,6-8,13,19H,2-3,5,9-10H2,1H3/t13-/m0/s1.
What are the key properties of 2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.34 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 107226148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).