4-(3-methoxypyridine-4-carbonyl)piperazin-2-one

C11H13N3O3 — CID 105063980

IUPAC4-(3-methoxypyridine-4-carbonyl)piperazin-2-one
SMILESCOc1cnccc1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C11H13N3O3/c1-17-9-6-12-3-2-8(9)11(16)14-5-4-13-10(15)7-14/h2-3,6H,4-5,7H2,1H3,(H,13,15)
InChIKeyLVVGCINWNVXMIU-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.34
Rot. Bonds2

About 4-(3-methoxypyridine-4-carbonyl)piperazin-2-one

4-(3-methoxypyridine-4-carbonyl)piperazin-2-one (PubChem CID 105063980) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-(3-methoxypyridine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-methoxypyridine-4-carbonyl)piperazin-2-one
PubChem CID105063980
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name4-(3-methoxypyridine-4-carbonyl)piperazin-2-one
SMILESCOc1cnccc1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C11H13N3O3/c1-17-9-6-12-3-2-8(9)11(16)14-5-4-13-10(15)7-14/h2-3,6H,4-5,7H2,1H3,(H,13,15)
InChIKeyLVVGCINWNVXMIU-UHFFFAOYSA-N
XLogP-0.34
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3,4-trimethoxybenzoyl)piperazin-2-one
CID 31096069
(3-methoxy-4-pyridinyl)-morpholin-4-ylmethanone
CID 105063802
(3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone
CID 105064090
4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one
CID 60718067
4-(5-chloro-4-iodo-2-methoxybenzoyl)piperazin-2-one
CID 47169147
4-(2-amino-6-methoxybenzoyl)piperazin-2-one
CID 81410266
[4-(chloromethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105064486
4-(4-chloro-2-methoxybenzoyl)-1,4-diazepan-2-one
CID 62898123
2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 105063202
3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323207
(5-amino-1,3-dihydroisoindol-2-yl)-(3-methoxy-4-pyridinyl)methanone
CID 105063024
4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one
CID 62896513

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyridine-4-carbonyl)piperazin-2-one?
The IUPAC name of 4-(3-methoxypyridine-4-carbonyl)piperazin-2-one (CID 105063980) is 4-(3-methoxypyridine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(3-methoxypyridine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(3-methoxypyridine-4-carbonyl)piperazin-2-one is COc1cnccc1C(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(3-methoxypyridine-4-carbonyl)piperazin-2-one?
The InChIKey is LVVGCINWNVXMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-17-9-6-12-3-2-8(9)11(16)14-5-4-13-10(15)7-14/h2-3,6H,4-5,7H2,1H3,(H,13,15).
What are the key properties of 4-(3-methoxypyridine-4-carbonyl)piperazin-2-one?
4-(3-methoxypyridine-4-carbonyl)piperazin-2-one has a molecular weight of 235.24 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyridine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 105063980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).