3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one

C10H19N3O2 — CID 63608112

IUPAC3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one
SMILESCNC(C)(C)C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C10H19N3O2/c1-7-8(14)12-5-6-13(7)9(15)10(2,3)11-4/h7,11H,5-6H2,1-4H3,(H,12,14)
InChIKeyKAELXFRFUXTIOM-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.67
Rot. Bonds2

About 3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one

3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one (PubChem CID 63608112) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one
PubChem CID63608112
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one
SMILESCNC(C)(C)C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C10H19N3O2/c1-7-8(14)12-5-6-13(7)9(15)10(2,3)11-4/h7,11H,5-6H2,1-4H3,(H,12,14)
InChIKeyKAELXFRFUXTIOM-UHFFFAOYSA-N
XLogP-0.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-3-methylpiperazin-2-one
CID 13190467
2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 115613470
3-methyl-4-(2-sulfanylpropanoyl)piperazin-2-one
CID 107029810
(3S)-3-methyl-4-prop-2-enoylpiperazin-2-one
CID 129371182
3,3-dimethyl-5-[(2S)-2-methyl-3-oxopiperazin-1-yl]-5-oxopentanoic acid
CID 124555735
4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one
CID 63606378
2-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid
CID 63607471
4-(3-bromoprop-2-ynoyl)-3-methylpiperazin-2-one
CID 131062630
4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
CID 63606068
3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one
CID 104913941
4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one
CID 171677198
(2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 63607472

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one (CID 63608112) is 3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one is CNC(C)(C)C(=O)N1CCNC(=O)C1C.
What is the InChIKey of 3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one?
The InChIKey is KAELXFRFUXTIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7-8(14)12-5-6-13(7)9(15)10(2,3)11-4/h7,11H,5-6H2,1-4H3,(H,12,14).
What are the key properties of 3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one?
3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one has a molecular weight of 213.28 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one is sourced from PubChem (CID 63608112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).