tert-butyl 2-(2-methoxy-2-oxoethyl)-3,3,5-trimethylpiperidine-1-carboxylate

C16H29NO4 — CID 123854967

IUPACtert-butyl 2-(2-methoxy-2-oxoethyl)-3,3,5-trimethylpiperidine-1-carboxylate
SMILESCOC(=O)CC1N(C(=O)OC(C)(C)C)CC(C)CC1(C)C
InChIInChI=1S/C16H29NO4/c1-11-9-16(5,6)12(8-13(18)20-7)17(10-11)14(19)21-15(2,3)4/h11-12H,8-10H2,1-7H3
InChIKeyRQUCJTCIPHZLLV-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.22
Rot. Bonds2

About tert-butyl 2-(2-methoxy-2-oxoethyl)-3,3,5-trimethylpiperidine-1-carboxylate

tert-butyl 2-(2-methoxy-2-oxoethyl)-3,3,5-trimethylpiperidine-1-carboxylate (PubChem CID 123854967) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl 2-(2-methoxy-2-oxoethyl)-3,3,5-trimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-methoxy-2-oxoethyl)-3,3,5-trimethylpiperidine-1-carboxylate
PubChem CID123854967
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nametert-butyl 2-(2-methoxy-2-oxoethyl)-3,3,5-trimethylpiperidine-1-carboxylate
SMILESCOC(=O)CC1N(C(=O)OC(C)(C)C)CC(C)CC1(C)C
InChIInChI=1S/C16H29NO4/c1-11-9-16(5,6)12(8-13(18)20-7)17(10-11)14(19)21-15(2,3)4/h11-12H,8-10H2,1-7H3
InChIKeyRQUCJTCIPHZLLV-UHFFFAOYSA-N
XLogP3.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (5S)-2-(2-methoxy-2-oxoethyl)-3,5-dimethylpiperidine-1-carboxylate
CID 163547401
tert-butyl 4-fluoro-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 75217731
tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
CID 77421281
tert-butyl (2R,4S)-4-amino-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 124662507
tert-butyl 4-(2-methoxy-2-oxoethyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 117045648
ditert-butyl 2-(2-methoxy-2-oxoethyl)piperazine-1,4-dicarboxylate
CID 4055116
tert-butyl (2S)-2-formyl-4-methylpyrrolidine-1-carboxylate
CID 86679299
tert-butyl (2R,4R)-4-(cyclopropanecarbonylsulfonylamino)-3,3-difluoro-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 177252460
tert-butyl (2R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 130614753
2-[(2S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 142151746
tert-butyl (2S,4R)-2-(hydroxymethyl)-2,4-dimethylpyrrolidine-1-carboxylate
CID 175637282
tert-butyl 3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 22184663

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methoxy-2-oxoethyl)-3,3,5-trimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-methoxy-2-oxoethyl)-3,3,5-trimethylpiperidine-1-carboxylate (CID 123854967) is tert-butyl 2-(2-methoxy-2-oxoethyl)-3,3,5-trimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-methoxy-2-oxoethyl)-3,3,5-trimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-methoxy-2-oxoethyl)-3,3,5-trimethylpiperidine-1-carboxylate is COC(=O)CC1N(C(=O)OC(C)(C)C)CC(C)CC1(C)C.
What is the InChIKey of tert-butyl 2-(2-methoxy-2-oxoethyl)-3,3,5-trimethylpiperidine-1-carboxylate?
The InChIKey is RQUCJTCIPHZLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-11-9-16(5,6)12(8-13(18)20-7)17(10-11)14(19)21-15(2,3)4/h11-12H,8-10H2,1-7H3.
What are the key properties of tert-butyl 2-(2-methoxy-2-oxoethyl)-3,3,5-trimethylpiperidine-1-carboxylate?
tert-butyl 2-(2-methoxy-2-oxoethyl)-3,3,5-trimethylpiperidine-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methoxy-2-oxoethyl)-3,3,5-trimethylpiperidine-1-carboxylate is sourced from PubChem (CID 123854967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).