3-(2-acetylpiperidin-1-yl)-1H-pyrazin-2-one

C11H15N3O2 — CID 114570686

IUPAC3-(2-acetylpiperidin-1-yl)-1H-pyrazin-2-one
SMILESCC(=O)C1CCCCN1c1ncc[nH]c1=O
InChIInChI=1S/C11H15N3O2/c1-8(15)9-4-2-3-7-14(9)10-11(16)13-6-5-12-10/h5-6,9H,2-4,7H2,1H3,(H,13,16)
InChIKeyADNDYIZEAFJGHH-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.72
Rot. Bonds2

About 3-(2-acetylpiperidin-1-yl)-1H-pyrazin-2-one

3-(2-acetylpiperidin-1-yl)-1H-pyrazin-2-one (PubChem CID 114570686) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(2-acetylpiperidin-1-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(2-acetylpiperidin-1-yl)-1H-pyrazin-2-one
PubChem CID114570686
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-(2-acetylpiperidin-1-yl)-1H-pyrazin-2-one
SMILESCC(=O)C1CCCCN1c1ncc[nH]c1=O
InChIInChI=1S/C11H15N3O2/c1-8(15)9-4-2-3-7-14(9)10-11(16)13-6-5-12-10/h5-6,9H,2-4,7H2,1H3,(H,13,16)
InChIKeyADNDYIZEAFJGHH-UHFFFAOYSA-N
XLogP0.72
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one
CID 22969712
6-Acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 54016263
6-Acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrazin-4-one
CID 58849747
6-Acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;ethane
CID 143089481
3-[(6-Oxopiperidin-3-yl)amino]-1-propan-2-ylpyrazin-2-one
CID 55233276
1-Ethyl-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]pyrazin-2-one
CID 55256860
3-(2-Acetylpiperidin-1-yl)-1-propylpyrazin-2-one
CID 55258920
3-[(2-Oxopiperidin-3-yl)amino]-1-propan-2-ylpyrazin-2-one
CID 62928804
1-Ethyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one
CID 62928805
3-[(2-Oxopiperidin-3-yl)amino]-1-propylpyrazin-2-one
CID 62928980
1-Methyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one
CID 62939578
1-(4-Methyl-3-oxopyrazin-2-yl)piperidine-2-carbaldehyde
CID 62940993

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetylpiperidin-1-yl)-1H-pyrazin-2-one?
The IUPAC name of 3-(2-acetylpiperidin-1-yl)-1H-pyrazin-2-one (CID 114570686) is 3-(2-acetylpiperidin-1-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(2-acetylpiperidin-1-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(2-acetylpiperidin-1-yl)-1H-pyrazin-2-one is CC(=O)C1CCCCN1c1ncc[nH]c1=O.
What is the InChIKey of 3-(2-acetylpiperidin-1-yl)-1H-pyrazin-2-one?
The InChIKey is ADNDYIZEAFJGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8(15)9-4-2-3-7-14(9)10-11(16)13-6-5-12-10/h5-6,9H,2-4,7H2,1H3,(H,13,16).
What are the key properties of 3-(2-acetylpiperidin-1-yl)-1H-pyrazin-2-one?
3-(2-acetylpiperidin-1-yl)-1H-pyrazin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetylpiperidin-1-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 114570686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).