3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one

C14H26N2O2 — CID 110709718

IUPAC3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one
SMILESCC(C)C(=O)N1CCN(CC(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-11(2)13(18)16-8-6-15(7-9-16)10-12(17)14(3,4)5/h11H,6-10H2,1-5H3
InChIKeyOIBYLNSLPCNAJG-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds3

About 3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one

3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one (PubChem CID 110709718) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one
PubChem CID110709718
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one
SMILESCC(C)C(=O)N1CCN(CC(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-11(2)13(18)16-8-6-15(7-9-16)10-12(17)14(3,4)5/h11H,6-10H2,1-5H3
InChIKeyOIBYLNSLPCNAJG-UHFFFAOYSA-N
XLogP1.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 60641709
2-[4-(2-methylpropanoyl)piperazin-1-yl]ethanethioamide
CID 63336234
1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 4069425
N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 51171979
3-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]piperazin-1-yl]butan-2-one
CID 172604703
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585
1-[4-(4-aminobutyl)piperazin-1-yl]-2-methylpropan-1-one
CID 43251783
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709754
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709736
2,2-dimethyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxobutanoic acid
CID 65302612
1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 172604246

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one?
The IUPAC name of 3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one (CID 110709718) is 3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one?
The canonical SMILES for 3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one is CC(C)C(=O)N1CCN(CC(=O)C(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one?
The InChIKey is OIBYLNSLPCNAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)13(18)16-8-6-15(7-9-16)10-12(17)14(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one?
3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one has a molecular weight of 254.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one is sourced from PubChem (CID 110709718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).