4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one

C13H17N3O4 — CID 103762912

IUPAC4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCOCC(=O)N1CCN(C(=O)c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C13H17N3O4/c1-20-9-12(18)15-4-6-16(7-5-15)13(19)10-2-3-14-11(17)8-10/h2-3,8H,4-7,9H2,1H3,(H,14,17)
InChIKeyHVFLIJDQIPOFPA-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.69
Rot. Bonds3

About 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one

4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 103762912) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID103762912
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCOCC(=O)N1CCN(C(=O)c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C13H17N3O4/c1-20-9-12(18)15-4-6-16(7-5-15)13(19)10-2-3-14-11(17)8-10/h2-3,8H,4-7,9H2,1H3,(H,14,17)
InChIKeyHVFLIJDQIPOFPA-UHFFFAOYSA-N
XLogP-0.69
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(2-oxo-1H-pyridine-4-carbonyl)piperazine-1-carboxamide
CID 103762745
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 108537013
4-(4-methyl-1,4-diazepane-1-carbonyl)-1H-pyridin-2-one
CID 103763244
methyl 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate
CID 103762652
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 60776283
4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 103763407
2-methoxy-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108547620
1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 103841681
4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 110600792
1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 113264935
4-[4-(ethylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 114039612
4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 146084829

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 103762912) is 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one is COCC(=O)N1CCN(C(=O)c2cc[nH]c(=O)c2)CC1.
What is the InChIKey of 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is HVFLIJDQIPOFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-20-9-12(18)15-4-6-16(7-5-15)13(19)10-2-3-14-11(17)8-10/h2-3,8H,4-7,9H2,1H3,(H,14,17).
What are the key properties of 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 279.30 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 103762912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).