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

C16H28N2O3 — CID 79166118

IUPACmethyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C(=O)C2C(C)(C)C2(C)C)CC1
InChIInChI=1S/C16H28N2O3/c1-15(2)13(16(15,3)4)14(20)18-10-8-17(9-11-18)7-6-12(19)21-5/h13H,6-11H2,1-5H3
InChIKeyZAWKOPNRLBAHLY-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.38
Rot. Bonds4

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

methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate (PubChem CID 79166118) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate
PubChem CID79166118
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Namemethyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C(=O)C2C(C)(C)C2(C)C)CC1
InChIInChI=1S/C16H28N2O3/c1-15(2)13(16(15,3)4)14(20)18-10-8-17(9-11-18)7-6-12(19)21-5/h13H,6-11H2,1-5H3
InChIKeyZAWKOPNRLBAHLY-UHFFFAOYSA-N
XLogP1.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate with MolForge

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Related Compounds

[4-(4-aminobutyl)piperazin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476634
methyl 3-(4-acetyl-1,4-diazepan-1-yl)propanoate
CID 60699890
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-(cyclopentylcarbamoyl)piperazin-1-yl]propanoate
CID 78973033
methyl 3-[4-(1-carbamothioylcyclobutanecarbonyl)piperazin-1-yl]propanoate
CID 115534713
methyl 3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 25219281
methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate
CID 115537132
methyl 3-[4-(4-chlorobutanoyl)piperazin-1-yl]propanoate
CID 115534236
methyl 3-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]propanoate
CID 78918272
methyl 3-[4-(1-cyano-3-methylcyclobutanecarbonyl)piperazin-1-yl]propanoate
CID 80501003

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate (CID 79166118) is methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate is COC(=O)CCN1CCN(C(=O)C2C(C)(C)C2(C)C)CC1.
What is the InChIKey of methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate?
The InChIKey is ZAWKOPNRLBAHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(2)13(16(15,3)4)14(20)18-10-8-17(9-11-18)7-6-12(19)21-5/h13H,6-11H2,1-5H3.
What are the key properties of methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate?
methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate has a molecular weight of 296.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 79166118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).