(3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone

C13H24N2O2 — CID 114104298

IUPAC(3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone
SMILESCCC1OCCC1C(=O)N1CCC(C)C(N)C1
InChIInChI=1S/C13H24N2O2/c1-3-12-10(5-7-17-12)13(16)15-6-4-9(2)11(14)8-15/h9-12H,3-8,14H2,1-2H3
InChIKeyYSNKNJOJPVHJGU-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.00
Rot. Bonds2

About (3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone

(3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone (PubChem CID 114104298) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone
PubChem CID114104298
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone
SMILESCCC1OCCC1C(=O)N1CCC(C)C(N)C1
InChIInChI=1S/C13H24N2O2/c1-3-12-10(5-7-17-12)13(16)15-6-4-9(2)11(14)8-15/h9-12H,3-8,14H2,1-2H3
InChIKeyYSNKNJOJPVHJGU-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 114104218
methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate
CID 114104347
(2S,3R)-2-ethyloxolane-3-carboxylic acid
CID 97048145
(2R,3S)-2-ethyloxolane-3-carboxylic acid
CID 97048146
1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 114105213
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 103900749
(3-bromo-4-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 102962350
(3-amino-4-ethylpiperidin-1-yl)-cyclopropylmethanone
CID 165441018
(3-amino-4-methylpiperidin-1-yl)-cyclopent-3-en-1-ylmethanone
CID 64767643
[3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79758718
1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79750690
(3-amino-4-ethylpiperidin-1-yl)-cyclopentylmethanone
CID 165439908

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone?
The IUPAC name of (3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone (CID 114104298) is (3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone.
What is the SMILES notation for (3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone?
The canonical SMILES for (3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone is CCC1OCCC1C(=O)N1CCC(C)C(N)C1.
What is the InChIKey of (3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone?
The InChIKey is YSNKNJOJPVHJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-12-10(5-7-17-12)13(16)15-6-4-9(2)11(14)8-15/h9-12H,3-8,14H2,1-2H3.
What are the key properties of (3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone?
(3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylpiperidin-1-yl)-(2-ethyloxolan-3-yl)methanone is sourced from PubChem (CID 114104298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).