3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one

C13H17N3O3 — CID 55217695

IUPAC3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C13H17N3O3/c1-3-10-12(18)14-5-7-16(10)13(19)9-4-6-15(2)11(17)8-9/h4,6,8,10H,3,5,7H2,1-2H3,(H,14,18)
InChIKeyWUHVNWRYPHOJBG-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.26
Rot. Bonds2

About 3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one

3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one (PubChem CID 55217695) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
PubChem CID55217695
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C13H17N3O3/c1-3-10-12(18)14-5-7-16(10)13(19)9-4-6-15(2)11(17)8-9/h4,6,8,10H,3,5,7H2,1-2H3,(H,14,18)
InChIKeyWUHVNWRYPHOJBG-UHFFFAOYSA-N
XLogP-0.26
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
CID 128862816
3-ethyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 63602080
(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
CID 1382904
3-(2-ethyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 63600980
6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one
CID 97096717
(3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one
CID 95330414
4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one
CID 63602039
4-(2,4-dibromobenzoyl)-3-ethylpiperazin-2-one
CID 103882803
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one
CID 113378431
4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one
CID 63600677
2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid
CID 136552744

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one (CID 55217695) is 3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one is CCC1C(=O)NCCN1C(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of 3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one?
The InChIKey is WUHVNWRYPHOJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-10-12(18)14-5-7-16(10)13(19)9-4-6-15(2)11(17)8-9/h4,6,8,10H,3,5,7H2,1-2H3,(H,14,18).
What are the key properties of 3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one?
3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one has a molecular weight of 263.30 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 55217695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).