tert-butyl 2-methyl-2-(3-oxobutyl)piperidine-1-carboxylate

C15H27NO3 — CID 134975768

IUPACtert-butyl 2-methyl-2-(3-oxobutyl)piperidine-1-carboxylate
SMILESCC(=O)CCC1(C)CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO3/c1-12(17)8-10-15(5)9-6-7-11-16(15)13(18)19-14(2,3)4/h6-11H2,1-5H3
InChIKeyUSKFRSSBGLHYGP-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.54
Rot. Bonds3

About tert-butyl 2-methyl-2-(3-oxobutyl)piperidine-1-carboxylate

tert-butyl 2-methyl-2-(3-oxobutyl)piperidine-1-carboxylate (PubChem CID 134975768) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl 2-methyl-2-(3-oxobutyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-2-(3-oxobutyl)piperidine-1-carboxylate
PubChem CID134975768
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl 2-methyl-2-(3-oxobutyl)piperidine-1-carboxylate
SMILESCC(=O)CCC1(C)CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO3/c1-12(17)8-10-15(5)9-6-7-11-16(15)13(18)19-14(2,3)4/h6-11H2,1-5H3
InChIKeyUSKFRSSBGLHYGP-UHFFFAOYSA-N
XLogP3.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-2-(3-oxobutyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-2-(3-oxobutyl)piperidine-1-carboxylate (CID 134975768) is tert-butyl 2-methyl-2-(3-oxobutyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-2-(3-oxobutyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-2-(3-oxobutyl)piperidine-1-carboxylate is CC(=O)CCC1(C)CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-2-(3-oxobutyl)piperidine-1-carboxylate?
The InChIKey is USKFRSSBGLHYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12(17)8-10-15(5)9-6-7-11-16(15)13(18)19-14(2,3)4/h6-11H2,1-5H3.
What are the key properties of tert-butyl 2-methyl-2-(3-oxobutyl)piperidine-1-carboxylate?
tert-butyl 2-methyl-2-(3-oxobutyl)piperidine-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-2-(3-oxobutyl)piperidine-1-carboxylate is sourced from PubChem (CID 134975768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).