methyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate

C13H25N3O3 — CID 79621412

IUPACmethyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CCNCC1C(=O)N(C)C
InChIInChI=1S/C13H25N3O3/c1-13(2,12(18)19-5)9-16-7-6-14-8-10(16)11(17)15(3)4/h10,14H,6-9H2,1-5H3
InChIKeySZUCOYUEKGDMIP-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.45
Rot. Bonds4

About methyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate

methyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate (PubChem CID 79621412) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate
PubChem CID79621412
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Namemethyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CCNCC1C(=O)N(C)C
InChIInChI=1S/C13H25N3O3/c1-13(2,12(18)19-5)9-16-7-6-14-8-10(16)11(17)15(3)4/h10,14H,6-9H2,1-5H3
InChIKeySZUCOYUEKGDMIP-UHFFFAOYSA-N
XLogP-0.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate (CID 79621412) is methyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN1CCNCC1C(=O)N(C)C.
What is the InChIKey of methyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate?
The InChIKey is SZUCOYUEKGDMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-13(2,12(18)19-5)9-16-7-6-14-8-10(16)11(17)15(3)4/h10,14H,6-9H2,1-5H3.
What are the key properties of methyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate?
methyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate has a molecular weight of 271.36 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(dimethylcarbamoyl)piperazin-1-yl]-2,2-dimethylpropanoate is sourced from PubChem (CID 79621412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).