3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one

C16H19N3O3 — CID 47736806

IUPAC3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCOC1CCCN(C(=O)c2cnc3ccccn3c2=O)C1
InChIInChI=1S/C16H19N3O3/c1-2-22-12-6-5-8-18(11-12)15(20)13-10-17-14-7-3-4-9-19(14)16(13)21/h3-4,7,9-10,12H,2,5-6,8,11H2,1H3
InChIKeyPYWYBDTYQPTBIF-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.34
Rot. Bonds3

About 3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one

3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 47736806) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID47736806
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCOC1CCCN(C(=O)c2cnc3ccccn3c2=O)C1
InChIInChI=1S/C16H19N3O3/c1-2-22-12-6-5-8-18(11-12)15(20)13-10-17-14-7-3-4-9-19(14)16(13)21/h3-4,7,9-10,12H,2,5-6,8,11H2,1H3
InChIKeyPYWYBDTYQPTBIF-UHFFFAOYSA-N
XLogP1.34
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 118763983
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402
3-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 24817289
3-(3-methylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119580673
3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 24675430
3-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 56702441
3-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 102738479
3-[4-(2-methylphenoxy)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 70743583
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 94612979
3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 94612977
3-[6-(hydroxymethyl)-1,4-oxazepane-4-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 70734317
3-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 92553570

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one (CID 47736806) is 3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is CCOC1CCCN(C(=O)c2cnc3ccccn3c2=O)C1.
What is the InChIKey of 3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PYWYBDTYQPTBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-22-12-6-5-8-18(11-12)15(20)13-10-17-14-7-3-4-9-19(14)16(13)21/h3-4,7,9-10,12H,2,5-6,8,11H2,1H3.
What are the key properties of 3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one?
3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 301.35 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47736806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).