1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one

C20H36N4O4 — CID 160882025

IUPAC1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one
SMILESCC(=O)N1CCN(C(=O)C(C)(C)C)CC1.CC(C)(C)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C11H20N2O2.C9H16N2O2/c1-9(14)12-5-7-13(8-6-12)10(15)11(2,3)4;1-9(2,3)8(13)11-5-4-10-7(12)6-11/h5-8H2,1-4H3;4-6H2,1-3H3,(H,10,12)
InChIKeySNDUAXMQXSLBGQ-UHFFFAOYSA-N
MW396.53 g/mol
LogP0.71
Rot. Bonds

About 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one

1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one (PubChem CID 160882025) has the molecular formula C20H36N4O4 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one
PubChem CID160882025
Molecular FormulaC20H36N4O4
Molecular Weight396.53 g/mol
Exact Mass396.27
IUPAC Name1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one
SMILESCC(=O)N1CCN(C(=O)C(C)(C)C)CC1.CC(C)(C)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C11H20N2O2.C9H16N2O2/c1-9(14)12-5-7-13(8-6-12)10(15)11(2,3)4;1-9(2,3)8(13)11-5-4-10-7(12)6-11/h5-8H2,1-4H3;4-6H2,1-3H3,(H,10,12)
InChIKeySNDUAXMQXSLBGQ-UHFFFAOYSA-N
XLogP0.71
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one with MolForge

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Related Compounds

4-acetylpiperazin-2-one
CID 12744517
4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride
CID 56831864
4-(2,2-dimethylbutanoyl)piperazin-2-one
CID 62848971
4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one
CID 130266300
4-(2,2,2-trifluoroacetyl)piperazin-2-one
CID 62733743
4-(3,3-dimethylbut-1-en-2-yl)piperazin-2-one
CID 167021506
2-methyl-2-(3-oxopiperazine-1-carbonyl)butanethioamide
CID 114291850
4-(2-amino-2-phenylpropanoyl)piperazin-2-one
CID 62487867
4-(2-hydroxy-2,2-diphenylacetyl)piperazin-2-one
CID 110878709
4-(2-tert-butylsulfanylacetyl)piperazin-2-one
CID 35795928
4-(3,3-difluorobutanoyl)piperazin-2-one
CID 130666948
4-prop-2-enoylpiperazin-2-one
CID 43616246

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one (CID 160882025) is 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one is CC(=O)N1CCN(C(=O)C(C)(C)C)CC1.CC(C)(C)C(=O)N1CCNC(=O)C1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one?
The InChIKey is SNDUAXMQXSLBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.C9H16N2O2/c1-9(14)12-5-7-13(8-6-12)10(15)11(2,3)4;1-9(2,3)8(13)11-5-4-10-7(12)6-11/h5-8H2,1-4H3;4-6H2,1-3H3,(H,10,12).
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one?
1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one has a molecular weight of 396.53 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one is sourced from PubChem (CID 160882025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).