2,2-dimethyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxobutanoic acid

C14H24N2O4 — CID 65302612

IUPAC2,2-dimethyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxobutanoic acid
SMILESCC(C)C(=O)N1CCN(C(=O)CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-10(2)12(18)16-7-5-15(6-8-16)11(17)9-14(3,4)13(19)20/h10H,5-9H2,1-4H3,(H,19,20)
InChIKeyVYGOKLAPONRUMN-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.81
Rot. Bonds4

About 2,2-dimethyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxobutanoic acid

2,2-dimethyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxobutanoic acid (PubChem CID 65302612) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxobutanoic acid
PubChem CID65302612
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2,2-dimethyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxobutanoic acid
SMILESCC(C)C(=O)N1CCN(C(=O)CC(C)(C)C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-10(2)12(18)16-7-5-15(6-8-16)11(17)9-14(3,4)13(19)20/h10H,5-9H2,1-4H3,(H,19,20)
InChIKeyVYGOKLAPONRUMN-UHFFFAOYSA-N
XLogP0.81
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)-4-oxobutanoic acid
CID 65297555
4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65299813
4-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 65302753
2,2-dimethyl-4-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-4-oxobutanoic acid
CID 65302720
4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65297955
2-methyl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 61072901
4-(3,6-dihydro-2H-pyridin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 114408018
4-(3,3-difluoropiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 116991467
4-(4-methoxycarbonylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65297455
4-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 65302083
4-(4-ethyl-3-methylpiperazin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65300311
4-(3-tert-butylpyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 113417042

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 2,2-dimethyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxobutanoic acid (CID 65302612) is 2,2-dimethyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxobutanoic acid is CC(C)C(=O)N1CCN(C(=O)CC(C)(C)C(=O)O)CC1.
What is the InChIKey of 2,2-dimethyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxobutanoic acid?
The InChIKey is VYGOKLAPONRUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(2)12(18)16-7-5-15(6-8-16)11(17)9-14(3,4)13(19)20/h10H,5-9H2,1-4H3,(H,19,20).
What are the key properties of 2,2-dimethyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxobutanoic acid?
2,2-dimethyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxobutanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 65302612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).