3-butyl-1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one

C15H21N3O3 — CID 56711658

IUPAC3-butyl-1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H21N3O3/c1-3-4-5-12-15(21)17(2)8-9-18(12)14(20)11-6-7-13(19)16-10-11/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,16,19)
InChIKeyUMTAMZMZVWUHMJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.85
Rot. Bonds4

About 3-butyl-1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one

3-butyl-1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one (PubChem CID 56711658) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-butyl-1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-butyl-1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one
PubChem CID56711658
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-butyl-1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H21N3O3/c1-3-4-5-12-15(21)17(2)8-9-18(12)14(20)11-6-7-13(19)16-10-11/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,16,19)
InChIKeyUMTAMZMZVWUHMJ-UHFFFAOYSA-N
XLogP0.85
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one?
The IUPAC name of 3-butyl-1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one (CID 56711658) is 3-butyl-1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-butyl-1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one?
The canonical SMILES for 3-butyl-1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one is CCCCC1C(=O)N(C)CCN1C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 3-butyl-1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one?
The InChIKey is UMTAMZMZVWUHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-4-5-12-15(21)17(2)8-9-18(12)14(20)11-6-7-13(19)16-10-11/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,16,19).
What are the key properties of 3-butyl-1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one?
3-butyl-1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one has a molecular weight of 291.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 56711658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).