2-[[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C19H21N3O2 — CID 99847632

IUPAC2-[[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1CCN(Cc2cc(=O)n3ccccc3n2)[C@@H](c2ccco2)C1
InChIInChI=1S/C19H21N3O2/c1-14-7-9-21(16(11-14)17-5-4-10-24-17)13-15-12-19(23)22-8-3-2-6-18(22)20-15/h2-6,8,10,12,14,16H,7,9,11,13H2,1H3/t14-,16-/m1/s1
InChIKeyGAPCGJSCALIEHM-GDBMZVCRSA-N
MW323.40 g/mol
LogP3.26
Rot. Bonds3

About 2-[[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 99847632) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID99847632
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1CCN(Cc2cc(=O)n3ccccc3n2)[C@@H](c2ccco2)C1
InChIInChI=1S/C19H21N3O2/c1-14-7-9-21(16(11-14)17-5-4-10-24-17)13-15-12-19(23)22-8-3-2-6-18(22)20-15/h2-6,8,10,12,14,16H,7,9,11,13H2,1H3/t14-,16-/m1/s1
InChIKeyGAPCGJSCALIEHM-GDBMZVCRSA-N
XLogP3.26
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18087389
2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18088555
2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62046354
2-[(4-hydroxypiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42883595
2-[[(2,4-dimethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 63993733
2-[[3-[5-(methoxymethyl)oxolan-2-yl]morpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 166256445
2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 104975427
3-[[(2R,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]methyl]-5-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
CID 97320008
2-[[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 97253121
2-[[(3aR,6S,7aS)-3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 118787487
2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 120869739
4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 114351775

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 99847632) is 2-[[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is C[C@@H]1CCN(Cc2cc(=O)n3ccccc3n2)[C@@H](c2ccco2)C1.
What is the InChIKey of 2-[[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GAPCGJSCALIEHM-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-7-9-21(16(11-14)17-5-4-10-24-17)13-15-12-19(23)22-8-3-2-6-18(22)20-15/h2-6,8,10,12,14,16H,7,9,11,13H2,1H3/t14-,16-/m1/s1.
What are the key properties of 2-[[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 323.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 99847632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).