3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one

C11H19N3O2 — CID 63714193

IUPAC3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one
SMILESCC1CNCC1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C11H19N3O2/c1-7-5-12-6-9(7)11(16)14-4-3-13-10(15)8(14)2/h7-9,12H,3-6H2,1-2H3,(H,13,15)
InChIKeyOPCMUDWBZOOVCA-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.81
Rot. Bonds1

About 3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one

3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one (PubChem CID 63714193) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one
PubChem CID63714193
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one
SMILESCC1CNCC1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C11H19N3O2/c1-7-5-12-6-9(7)11(16)14-4-3-13-10(15)8(14)2/h7-9,12H,3-6H2,1-2H3,(H,13,15)
InChIKeyOPCMUDWBZOOVCA-UHFFFAOYSA-N
XLogP-0.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(3S)-piperidine-3-carbonyl]piperazin-2-one
CID 81139872
4-acetyl-3-methylpiperazin-2-one
CID 13190467
(2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid
CID 102945261
3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one
CID 104913941
3-methyl-4-(2-sulfanylpropanoyl)piperazin-2-one
CID 107029810
(3S)-3-methyl-4-prop-2-enoylpiperazin-2-one
CID 129371182
4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one
CID 63606378
3-methyl-4-(oxane-2-carbonyl)piperazin-2-one
CID 63607255
4-(3,3-difluorocyclopentanecarbonyl)-3-methylpiperazin-2-one
CID 114094357
3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63606730
3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one
CID 63602423
3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one
CID 63078843

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one (CID 63714193) is 3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one is CC1CNCC1C(=O)N1CCNC(=O)C1C.
What is the InChIKey of 3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one?
The InChIKey is OPCMUDWBZOOVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7-5-12-6-9(7)11(16)14-4-3-13-10(15)8(14)2/h7-9,12H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one?
3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one has a molecular weight of 225.29 g/mol, XLogP of -0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 63714193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).