methyl 2-methyl-2-[4-(2-methylpropanoyl)piperidin-1-yl]propanoate

C14H25NO3 — CID 58405029

IUPACmethyl 2-methyl-2-[4-(2-methylpropanoyl)piperidin-1-yl]propanoate
SMILESCOC(=O)C(C)(C)N1CCC(C(=O)C(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-10(2)12(16)11-6-8-15(9-7-11)14(3,4)13(17)18-5/h10-11H,6-9H2,1-5H3
InChIKeyMWKANHDUFWEVRZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.88
Rot. Bonds4

About methyl 2-methyl-2-[4-(2-methylpropanoyl)piperidin-1-yl]propanoate

methyl 2-methyl-2-[4-(2-methylpropanoyl)piperidin-1-yl]propanoate (PubChem CID 58405029) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 2-methyl-2-[4-(2-methylpropanoyl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[4-(2-methylpropanoyl)piperidin-1-yl]propanoate
PubChem CID58405029
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 2-methyl-2-[4-(2-methylpropanoyl)piperidin-1-yl]propanoate
SMILESCOC(=O)C(C)(C)N1CCC(C(=O)C(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-10(2)12(16)11-6-8-15(9-7-11)14(3,4)13(17)18-5/h10-11H,6-9H2,1-5H3
InChIKeyMWKANHDUFWEVRZ-UHFFFAOYSA-N
XLogP1.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[4-(2-methylpropanoyl)piperidin-1-yl]propanoate?
The IUPAC name of methyl 2-methyl-2-[4-(2-methylpropanoyl)piperidin-1-yl]propanoate (CID 58405029) is methyl 2-methyl-2-[4-(2-methylpropanoyl)piperidin-1-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[4-(2-methylpropanoyl)piperidin-1-yl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[4-(2-methylpropanoyl)piperidin-1-yl]propanoate is COC(=O)C(C)(C)N1CCC(C(=O)C(C)C)CC1.
What is the InChIKey of methyl 2-methyl-2-[4-(2-methylpropanoyl)piperidin-1-yl]propanoate?
The InChIKey is MWKANHDUFWEVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)12(16)11-6-8-15(9-7-11)14(3,4)13(17)18-5/h10-11H,6-9H2,1-5H3.
What are the key properties of methyl 2-methyl-2-[4-(2-methylpropanoyl)piperidin-1-yl]propanoate?
methyl 2-methyl-2-[4-(2-methylpropanoyl)piperidin-1-yl]propanoate has a molecular weight of 255.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[4-(2-methylpropanoyl)piperidin-1-yl]propanoate is sourced from PubChem (CID 58405029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).