methyl 1-(3,3-dimethylbutanoyl)piperidine-4-carboxylate

C13H23NO3 — CID 2903923

IUPACmethyl 1-(3,3-dimethylbutanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C13H23NO3/c1-13(2,3)9-11(15)14-7-5-10(6-8-14)12(16)17-4/h10H,5-9H2,1-4H3
InChIKeyXGLNMOOLPZPCTH-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.83
Rot. Bonds2

About methyl 1-(3,3-dimethylbutanoyl)piperidine-4-carboxylate

methyl 1-(3,3-dimethylbutanoyl)piperidine-4-carboxylate (PubChem CID 2903923) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 1-(3,3-dimethylbutanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,3-dimethylbutanoyl)piperidine-4-carboxylate
PubChem CID2903923
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 1-(3,3-dimethylbutanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C13H23NO3/c1-13(2,3)9-11(15)14-7-5-10(6-8-14)12(16)17-4/h10H,5-9H2,1-4H3
InChIKeyXGLNMOOLPZPCTH-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,3-dimethylbutanoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3,3-dimethylbutanoyl)piperidine-4-carboxylate (CID 2903923) is methyl 1-(3,3-dimethylbutanoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3,3-dimethylbutanoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3,3-dimethylbutanoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CC(C)(C)C)CC1.
What is the InChIKey of methyl 1-(3,3-dimethylbutanoyl)piperidine-4-carboxylate?
The InChIKey is XGLNMOOLPZPCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(2,3)9-11(15)14-7-5-10(6-8-14)12(16)17-4/h10H,5-9H2,1-4H3.
What are the key properties of methyl 1-(3,3-dimethylbutanoyl)piperidine-4-carboxylate?
methyl 1-(3,3-dimethylbutanoyl)piperidine-4-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,3-dimethylbutanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 2903923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).