4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide

C12H23N3O2 — CID 119579732

IUPAC4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)N1CCNC(C)C1
InChIInChI=1S/C12H23N3O2/c1-3-6-14-11(16)4-5-12(17)15-8-7-13-10(2)9-15/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyGAFXOWZEDYTPLZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.11
Rot. Bonds5

About 4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide

4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide (PubChem CID 119579732) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide.

Molecular Properties

Compound Name4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide
PubChem CID119579732
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)N1CCNC(C)C1
InChIInChI=1S/C12H23N3O2/c1-3-6-14-11(16)4-5-12(17)15-8-7-13-10(2)9-15/h10,13H,3-9H2,1-2H3,(H,14,16)
InChIKeyGAFXOWZEDYTPLZ-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
(3R)-3-methyl-N-propylpiperazine-1-carboxamide
CID 104974924
N-butyl-4-oxo-4-piperazin-1-ylbutanamide
CID 39255839
4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride
CID 119577234
1-[4-oxo-4-(propylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 119355311
1-[(3R)-3-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 81427683
3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride
CID 130616004
2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]-N-propylacetamide
CID 62543748
1-(3-methylpiperazin-1-yl)-2-propylsulfanylethanone
CID 119578055
4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 119580889
2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 130636624
N-methyl-2-[(3R)-3-methylpiperazin-1-yl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 104975660

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide?
The IUPAC name of 4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide (CID 119579732) is 4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide.
What is the SMILES notation for 4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide?
The canonical SMILES for 4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide is CCCNC(=O)CCC(=O)N1CCNC(C)C1.
What is the InChIKey of 4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide?
The InChIKey is GAFXOWZEDYTPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-6-14-11(16)4-5-12(17)15-8-7-13-10(2)9-15/h10,13H,3-9H2,1-2H3,(H,14,16).
What are the key properties of 4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide?
4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide has a molecular weight of 241.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide is sourced from PubChem (CID 119579732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).