2-piperidin-3-yl-1H-pyrido[1,2-a]pyrimidine-4,6-dione

C13H15N3O2 — CID 115054616

IUPAC2-piperidin-3-yl-1H-pyrido[1,2-a]pyrimidine-4,6-dione
SMILESO=c1cccc2[nH]c(C3CCCNC3)cc(=O)n12
InChIInChI=1S/C13H15N3O2/c17-12-5-1-4-11-15-10(7-13(18)16(11)12)9-3-2-6-14-8-9/h1,4-5,7,9,14-15H,2-3,6,8H2
InChIKeyVVHOEPKSHQWAHS-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.45
Rot. Bonds1

About 2-piperidin-3-yl-1H-pyrido[1,2-a]pyrimidine-4,6-dione

2-piperidin-3-yl-1H-pyrido[1,2-a]pyrimidine-4,6-dione (PubChem CID 115054616) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-piperidin-3-yl-1H-pyrido[1,2-a]pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-piperidin-3-yl-1H-pyrido[1,2-a]pyrimidine-4,6-dione
PubChem CID115054616
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-piperidin-3-yl-1H-pyrido[1,2-a]pyrimidine-4,6-dione
SMILESO=c1cccc2[nH]c(C3CCCNC3)cc(=O)n12
InChIInChI=1S/C13H15N3O2/c17-12-5-1-4-11-15-10(7-13(18)16(11)12)9-3-2-6-14-8-9/h1,4-5,7,9,14-15H,2-3,6,8H2
InChIKeyVVHOEPKSHQWAHS-UHFFFAOYSA-N
XLogP0.45
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-piperidin-3-yl-1H-pyrido[1,2-a]pyrimidine-4,6-dione with MolForge

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Related Compounds

2-methyl-5-piperidin-3-yl-1H-pyrazol-3-one;dihydrochloride
CID 71298839
4-chloro-2-piperidin-3-yl-1H-indole
CID 82620573
3-piperidin-3-ylbenzenethiol
CID 116988736
3-methyl-2-piperidin-3-yl-1H-imidazo[1,2-a]pyridin-7-one
CID 115038375
6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115053152
2-methyl-3-piperidin-3-yl-1,2-oxazol-5-one
CID 84658480
2-methyl-5-[(3R)-pyrrolidin-3-yl]-1H-pyrazol-3-one
CID 98104484
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
3-naphthalen-2-ylpiperidine;hydrochloride
CID 45073830
(3S)-3-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]piperidine
CID 141288555
7-chloro-4-fluoro-2-piperidin-3-yl-1H-indole
CID 67535322
1-methyl-3-piperidin-3-ylpyridin-2-one
CID 166162666

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-1H-pyrido[1,2-a]pyrimidine-4,6-dione?
The IUPAC name of 2-piperidin-3-yl-1H-pyrido[1,2-a]pyrimidine-4,6-dione (CID 115054616) is 2-piperidin-3-yl-1H-pyrido[1,2-a]pyrimidine-4,6-dione.
What is the SMILES notation for 2-piperidin-3-yl-1H-pyrido[1,2-a]pyrimidine-4,6-dione?
The canonical SMILES for 2-piperidin-3-yl-1H-pyrido[1,2-a]pyrimidine-4,6-dione is O=c1cccc2[nH]c(C3CCCNC3)cc(=O)n12.
What is the InChIKey of 2-piperidin-3-yl-1H-pyrido[1,2-a]pyrimidine-4,6-dione?
The InChIKey is VVHOEPKSHQWAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-12-5-1-4-11-15-10(7-13(18)16(11)12)9-3-2-6-14-8-9/h1,4-5,7,9,14-15H,2-3,6,8H2.
What are the key properties of 2-piperidin-3-yl-1H-pyrido[1,2-a]pyrimidine-4,6-dione?
2-piperidin-3-yl-1H-pyrido[1,2-a]pyrimidine-4,6-dione has a molecular weight of 245.28 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-1H-pyrido[1,2-a]pyrimidine-4,6-dione is sourced from PubChem (CID 115054616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).