tert-butyl 2-butyl-6-methyl-4-oxopiperidine-1-carboxylate

C15H27NO3 — CID 42645909

IUPACtert-butyl 2-butyl-6-methyl-4-oxopiperidine-1-carboxylate
SMILESCCCCC1CC(=O)CC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO3/c1-6-7-8-12-10-13(17)9-11(2)16(12)14(18)19-15(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyGVQHEXWOSMRANN-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.53
Rot. Bonds3

About tert-butyl 2-butyl-6-methyl-4-oxopiperidine-1-carboxylate

tert-butyl 2-butyl-6-methyl-4-oxopiperidine-1-carboxylate (PubChem CID 42645909) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl 2-butyl-6-methyl-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-butyl-6-methyl-4-oxopiperidine-1-carboxylate
PubChem CID42645909
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl 2-butyl-6-methyl-4-oxopiperidine-1-carboxylate
SMILESCCCCC1CC(=O)CC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO3/c1-6-7-8-12-10-13(17)9-11(2)16(12)14(18)19-15(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyGVQHEXWOSMRANN-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R,6R)-2,6-dimethyl-4-oxopiperidine-1-carboxylate;trans-(3S,5S)-3,5-dimethylcyclohexan-1-one
CID 158199472
benzyl (2R,6S)-2-methyl-6-nonyl-4-oxopiperidine-1-carboxylate
CID 71613008
tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate
CID 10900787
tert-butyl (2R,6S)-2-ethynyl-6-methyl-4-oxopiperidine-1-carboxylate
CID 135158935
tert-butyl (2R,5R)-2-ethyl-5-heptylpyrrolidine-1-carboxylate
CID 10902578
tert-butyl (2R,3R,6S)-6-dodecyl-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 11326571
1-O-tert-butyl 2-O-methyl (5R)-5-methyl-3-oxopyrrolidine-1,2-dicarboxylate
CID 70276073
tert-butyl (2R,4S)-2-butyl-4-hydroxypyrrolidine-1-carboxylate
CID 99994221
tert-butyl 4-amino-2-butylpiperidine-1-carboxylate
CID 175292956
(2S,5S)-5-hexyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 135016217
tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate
CID 70015662
tert-butyl 4-oxo-2-pentyl-2,3-dihydropyridine-1-carboxylate
CID 11140102

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-butyl-6-methyl-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-butyl-6-methyl-4-oxopiperidine-1-carboxylate (CID 42645909) is tert-butyl 2-butyl-6-methyl-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-butyl-6-methyl-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-butyl-6-methyl-4-oxopiperidine-1-carboxylate is CCCCC1CC(=O)CC(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-butyl-6-methyl-4-oxopiperidine-1-carboxylate?
The InChIKey is GVQHEXWOSMRANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-6-7-8-12-10-13(17)9-11(2)16(12)14(18)19-15(3,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of tert-butyl 2-butyl-6-methyl-4-oxopiperidine-1-carboxylate?
tert-butyl 2-butyl-6-methyl-4-oxopiperidine-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-butyl-6-methyl-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 42645909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).