1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid

C14H23NO4 — CID 114105213

IUPAC1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCCC1OCCC1C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H23NO4/c1-3-11-10(4-9-19-11)12(16)15-7-5-14(2,6-8-15)13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyKJMVMHCDVIKTLU-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.51
Rot. Bonds3

About 1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid

1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 114105213) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID114105213
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCCC1OCCC1C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H23NO4/c1-3-11-10(4-9-19-11)12(16)15-7-5-14(2,6-8-15)13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyKJMVMHCDVIKTLU-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate
CID 114104347
4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 95015441
(2S,3R)-2-ethyloxolane-3-carboxylic acid
CID 97048145
(2R,3S)-2-ethyloxolane-3-carboxylic acid
CID 97048146
(3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone
CID 114104298
(2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 114104218
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123868
4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 55177373
2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 129492016
1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123468
4-methyl-1-pentanoylpiperidine-4-carboxylic acid
CID 63123206
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid (CID 114105213) is 1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid is CCC1OCCC1C(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is KJMVMHCDVIKTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-3-11-10(4-9-19-11)12(16)15-7-5-14(2,6-8-15)13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid?
1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 114105213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).