2-methylpropyl 4-methyl-2-oxopiperidine-1-carboxylate

C11H19NO3 — CID 143367075

IUPAC2-methylpropyl 4-methyl-2-oxopiperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(C)CC1=O
InChIInChI=1S/C11H19NO3/c1-8(2)7-15-11(14)12-5-4-9(3)6-10(12)13/h8-9H,4-7H2,1-3H3
InChIKeyHIPFLIBQJDTDAZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.04
Rot. Bonds2

About 2-methylpropyl 4-methyl-2-oxopiperidine-1-carboxylate

2-methylpropyl 4-methyl-2-oxopiperidine-1-carboxylate (PubChem CID 143367075) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-methylpropyl 4-methyl-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-methyl-2-oxopiperidine-1-carboxylate
PubChem CID143367075
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-methylpropyl 4-methyl-2-oxopiperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(C)CC1=O
InChIInChI=1S/C11H19NO3/c1-8(2)7-15-11(14)12-5-4-9(3)6-10(12)13/h8-9H,4-7H2,1-3H3
InChIKeyHIPFLIBQJDTDAZ-UHFFFAOYSA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-methyl-2-oxopiperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-methyl-2-oxopiperidine-1-carboxylate (CID 143367075) is 2-methylpropyl 4-methyl-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-methyl-2-oxopiperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-methyl-2-oxopiperidine-1-carboxylate is CC(C)COC(=O)N1CCC(C)CC1=O.
What is the InChIKey of 2-methylpropyl 4-methyl-2-oxopiperidine-1-carboxylate?
The InChIKey is HIPFLIBQJDTDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)7-15-11(14)12-5-4-9(3)6-10(12)13/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-methylpropyl 4-methyl-2-oxopiperidine-1-carboxylate?
2-methylpropyl 4-methyl-2-oxopiperidine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-methyl-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 143367075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).