methyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate

C14H26N2O3 — CID 78918272

IUPACmethyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate
SMILESCCC(C)(C)C(=O)N1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C14H26N2O3/c1-5-14(2,3)13(18)16-10-8-15(9-11-16)7-6-12(17)19-4/h5-11H2,1-4H3
InChIKeyWTWDAOKDKFSCTE-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.13
Rot. Bonds5

About methyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate

methyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate (PubChem CID 78918272) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate
PubChem CID78918272
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate
SMILESCCC(C)(C)C(=O)N1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C14H26N2O3/c1-5-14(2,3)13(18)16-10-8-15(9-11-16)7-6-12(17)19-4/h5-11H2,1-4H3
InChIKeyWTWDAOKDKFSCTE-UHFFFAOYSA-N
XLogP1.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate
CID 113221897
methyl 3-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]propanoate
CID 113221901
propan-2-yl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate
CID 115536096
methyl 3-(4-acetyl-1,4-diazepan-1-yl)propanoate
CID 60699890
methyl 4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]butanoate
CID 152602216
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 63656391
methyl 3-(4-ethylsulfonylpiperazin-1-yl)propanoate
CID 47812170
methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate
CID 79166118
methyl 3-[4-[(Z)-2-methylpent-2-enoyl]piperazin-1-yl]propanoate
CID 78983790
methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate
CID 115537132
methyl 3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 25219281
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]acetonitrile
CID 63336804

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate (CID 78918272) is methyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate is CCC(C)(C)C(=O)N1CCN(CCC(=O)OC)CC1.
What is the InChIKey of methyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate?
The InChIKey is WTWDAOKDKFSCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-14(2,3)13(18)16-10-8-15(9-11-16)7-6-12(17)19-4/h5-11H2,1-4H3.
What are the key properties of methyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate?
methyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate has a molecular weight of 270.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 78918272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).