2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide

C11H21N3O2 — CID 28709201

IUPAC2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide
SMILESCC(C)C(=O)NCCC(=O)N1CCNCC1
InChIInChI=1S/C11H21N3O2/c1-9(2)11(16)13-4-3-10(15)14-7-5-12-6-8-14/h9,12H,3-8H2,1-2H3,(H,13,16)
InChIKeyDRKYGDWAKJHLJE-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.42
Rot. Bonds4

About 2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide

2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide (PubChem CID 28709201) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide
PubChem CID28709201
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide
SMILESCC(C)C(=O)NCCC(=O)N1CCNCC1
InChIInChI=1S/C11H21N3O2/c1-9(2)11(16)13-4-3-10(15)14-7-5-12-6-8-14/h9,12H,3-8H2,1-2H3,(H,13,16)
InChIKeyDRKYGDWAKJHLJE-UHFFFAOYSA-N
XLogP-0.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119400363
N-[2-(dimethylamino)ethyl]-2-methylpropanamide;methane;2-methyl-1-piperazin-1-ylpropan-1-one
CID 159310071
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
2-methyl-N-(1-oxo-1-piperazin-1-ylpropan-2-yl)propanamide
CID 82020267
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 61251378
1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea
CID 61176089
2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 28708756
2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 107905705
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332
1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one
CID 62544723
5-(methylamino)-1-piperazin-1-ylpentan-1-one
CID 154943058

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide?
The IUPAC name of 2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide (CID 28709201) is 2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide?
The canonical SMILES for 2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide is CC(C)C(=O)NCCC(=O)N1CCNCC1.
What is the InChIKey of 2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide?
The InChIKey is DRKYGDWAKJHLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9(2)11(16)13-4-3-10(15)14-7-5-12-6-8-14/h9,12H,3-8H2,1-2H3,(H,13,16).
What are the key properties of 2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide?
2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide has a molecular weight of 227.31 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide is sourced from PubChem (CID 28709201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).