3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride

C12H24ClN3O2 — CID 119400363

IUPAC3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride
SMILESCC(C)CC(=O)NCCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-10(2)9-11(16)14-4-3-12(17)15-7-5-13-6-8-15;/h10,13H,3-9H2,1-2H3,(H,14,16);1H
InChIKeyQJXYGCOXROMFQX-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.39
Rot. Bonds5

About 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride

3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride (PubChem CID 119400363) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride
PubChem CID119400363
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC Name3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride
SMILESCC(C)CC(=O)NCCC(=O)N1CCNCC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-10(2)9-11(16)14-4-3-12(17)15-7-5-13-6-8-15;/h10,13H,3-9H2,1-2H3,(H,14,16);1H
InChIKeyQJXYGCOXROMFQX-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide
CID 28709201
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149
3-methyl-N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]butanamide;hydrochloride
CID 119390933
N-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3-methylbutanamide;hydrochloride
CID 120807356
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
N-(4-oxo-4-piperazin-1-ylbutyl)propanamide
CID 28709367
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
N-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]-3-methylbutanamide
CID 120807357
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119849539
N-butyl-4-oxo-4-piperazin-1-ylbutanamide
CID 39255839
3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide
CID 119449816
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The IUPAC name of 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride (CID 119400363) is 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride is CC(C)CC(=O)NCCC(=O)N1CCNCC1.Cl.
What is the InChIKey of 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride?
The InChIKey is QJXYGCOXROMFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-10(2)9-11(16)14-4-3-12(17)15-7-5-13-6-8-15;/h10,13H,3-9H2,1-2H3,(H,14,16);1H.
What are the key properties of 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride?
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride is sourced from PubChem (CID 119400363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).