methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate

C14H23NO4 — CID 114104347

IUPACmethyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate
SMILESCCC1OCCC1C(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C14H23NO4/c1-3-12-11(6-9-19-12)13(16)15-7-4-10(5-8-15)14(17)18-2/h10-12H,3-9H2,1-2H3
InChIKeyBKVVYKKRBIXJNB-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.21
Rot. Bonds3

About methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate

methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate (PubChem CID 114104347) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate
PubChem CID114104347
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namemethyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate
SMILESCCC1OCCC1C(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C14H23NO4/c1-3-12-11(6-9-19-12)13(16)15-7-4-10(5-8-15)14(17)18-2/h10-12H,3-9H2,1-2H3
InChIKeyBKVVYKKRBIXJNB-UHFFFAOYSA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 114105213
(3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone
CID 114104298
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
(2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 114104218
(2S,3R)-2-ethyloxolane-3-carboxylic acid
CID 97048145
(2R,3S)-2-ethyloxolane-3-carboxylic acid
CID 97048146
2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 129492016
methyl 1-heptanoylpiperidine-4-carboxylate
CID 43423316
methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboxylate
CID 65160002
1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]imidazolidin-2-one
CID 129491970
1-[1-[(2S,3R)-2-ethyloxane-3-carbonyl]piperidin-4-yl]-1,3-diazinan-2-one
CID 129492024
methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 777600

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate (CID 114104347) is methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate is CCC1OCCC1C(=O)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is BKVVYKKRBIXJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-3-12-11(6-9-19-12)13(16)15-7-4-10(5-8-15)14(17)18-2/h10-12H,3-9H2,1-2H3.
What are the key properties of methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate?
methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 114104347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).