3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride

C11H24ClN3O — CID 119447149

IUPAC3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
SMILESCC(C)CC(=O)NCCN1CCNCC1.Cl
InChIInChI=1S/C11H23N3O.ClH/c1-10(2)9-11(15)13-5-8-14-6-3-12-4-7-14;/h10,12H,3-9H2,1-2H3,(H,13,15);1H
InChIKeyCLYYYSIVIJRUNR-UHFFFAOYSA-N
MW249.79 g/mol
LogP0.48
Rot. Bonds5

About 3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride

3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride (PubChem CID 119447149) has the molecular formula C11H24ClN3O and a molecular weight of 249.79 g/mol. Its IUPAC name is 3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
PubChem CID119447149
Molecular FormulaC11H24ClN3O
Molecular Weight249.79 g/mol
Exact Mass249.16
IUPAC Name3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
SMILESCC(C)CC(=O)NCCN1CCNCC1.Cl
InChIInChI=1S/C11H23N3O.ClH/c1-10(2)9-11(15)13-5-8-14-6-3-12-4-7-14;/h10,12H,3-9H2,1-2H3,(H,13,15);1H
InChIKeyCLYYYSIVIJRUNR-UHFFFAOYSA-N
XLogP0.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride
CID 119390933
3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride
CID 119393526
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119400363
N-(2-piperazin-1-ylethyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119445635
2-methoxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119446588
2-methoxy-N-(2-piperazin-1-ylethyl)propanamide
CID 115736805
2-acetamido-N-(2-piperazin-1-ylethyl)acetamide
CID 43600274
3-methoxy-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446403
2-(diethylsulfamoyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119449276
3-fluoro-4-(3-methylbutanoylamino)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445207
3-(2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide
CID 119445732
2-(3-methylbutylsulfanyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393490

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The IUPAC name of 3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride (CID 119447149) is 3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride is CC(C)CC(=O)NCCN1CCNCC1.Cl.
What is the InChIKey of 3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
The InChIKey is CLYYYSIVIJRUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.ClH/c1-10(2)9-11(15)13-5-8-14-6-3-12-4-7-14;/h10,12H,3-9H2,1-2H3,(H,13,15);1H.
What are the key properties of 3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride?
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride has a molecular weight of 249.79 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119447149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).