tert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate

C17H29NO3 — CID 116685387

IUPACtert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC1CCCC(CC(=O)C2(C)CC2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H29NO3/c1-12-7-6-8-13(11-14(19)17(5)9-10-17)18(12)15(20)21-16(2,3)4/h12-13H,6-11H2,1-5H3
InChIKeyZSDRPHBSDOKFAX-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.92
Rot. Bonds3

About tert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 116685387) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is tert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate
PubChem CID116685387
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Nametert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC1CCCC(CC(=O)C2(C)CC2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H29NO3/c1-12-7-6-8-13(11-14(19)17(5)9-10-17)18(12)15(20)21-16(2,3)4/h12-13H,6-11H2,1-5H3
InChIKeyZSDRPHBSDOKFAX-UHFFFAOYSA-N
XLogP3.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate
CID 104892491
tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate
CID 10900787
tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026
tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate
CID 70015662
tert-butyl 2-methyl-6-(2-oxo-2-thiophen-2-ylethyl)piperidine-1-carboxylate
CID 104892458
methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate
CID 134856290
tert-butyl 2-methyl-6-(2-oxocyclopentyl)piperidine-1-carboxylate
CID 116685241
tert-butyl 2-methyl-6-(2-oxocycloheptyl)piperidine-1-carboxylate
CID 104892473
tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate
CID 90048538
tert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate
CID 69350476
tert-butyl (2R,5R)-2-(hydroxymethyl)-5-propylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-methyl-5-propylpyrrolidine-1-carboxylate;carbon dioxide
CID 165081876
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828022

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate (CID 116685387) is tert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate is CC1CCCC(CC(=O)C2(C)CC2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is ZSDRPHBSDOKFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-12-7-6-8-13(11-14(19)17(5)9-10-17)18(12)15(20)21-16(2,3)4/h12-13H,6-11H2,1-5H3.
What are the key properties of tert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 295.42 g/mol, XLogP of 3.92, 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-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 116685387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).