methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate

C15H25NO4 — CID 65160002

IUPACmethyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2C(C)OC(C)C2C)CC1
InChIInChI=1S/C15H25NO4/c1-9-10(2)20-11(3)13(9)14(17)16-7-5-12(6-8-16)15(18)19-4/h9-13H,5-8H2,1-4H3
InChIKeySUEKTEFBZCMHRB-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.46
Rot. Bonds2

About methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate

methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate (PubChem CID 65160002) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate
PubChem CID65160002
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Namemethyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2C(C)OC(C)C2C)CC1
InChIInChI=1S/C15H25NO4/c1-9-10(2)20-11(3)13(9)14(17)16-7-5-12(6-8-16)15(18)19-4/h9-13H,5-8H2,1-4H3
InChIKeySUEKTEFBZCMHRB-UHFFFAOYSA-N
XLogP1.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide
CID 77057802
1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 65157522
[4-(chloromethyl)piperidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65159239
methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate
CID 65160003
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone
CID 115313979
[3-(bromomethyl)pyrrolidin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 80666651
2-[4-(2,4,5-trimethyloxolane-3-carbonyl)piperazin-1-yl]propanoic acid
CID 65157041
[4-(2-chloroethyl)piperazin-1-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65159539
(3-bromopiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 80660679
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 777600
methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate
CID 114104347

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate (CID 65160002) is methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C2C(C)OC(C)C2C)CC1.
What is the InChIKey of methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is SUEKTEFBZCMHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-9-10(2)20-11(3)13(9)14(17)16-7-5-12(6-8-16)15(18)19-4/h9-13H,5-8H2,1-4H3.
What are the key properties of methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate?
methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 65160002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).