[3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone

C13H24N2O2 — CID 79760320

IUPAC[3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
SMILESCNCC1CCCN(C(=O)C2CCOC2C)C1
InChIInChI=1S/C13H24N2O2/c1-10-12(5-7-17-10)13(16)15-6-3-4-11(9-15)8-14-2/h10-12,14H,3-9H2,1-2H3
InChIKeyCPVJKKXYQPRCSK-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.87
Rot. Bonds3

About [3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone

[3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone (PubChem CID 79760320) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name[3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
PubChem CID79760320
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
SMILESCNCC1CCCN(C(=O)C2CCOC2C)C1
InChIInChI=1S/C13H24N2O2/c1-10-12(5-7-17-10)13(16)15-6-3-4-11(9-15)8-14-2/h10-12,14H,3-9H2,1-2H3
InChIKeyCPVJKKXYQPRCSK-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 61205442
(3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 80660660
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
[3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79758718
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398426
3-(methylaminomethyl)piperidine-1-carboxamide
CID 61204552
[2-(3,5-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395248
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 63263865
1-(2-methyloxolane-3-carbonyl)piperidine-3-carbothioamide
CID 79758803
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 119260605
(2-ethyloxolan-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 114104218
3,4-dihydro-2H-chromen-4-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 63709581

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone?
The IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone (CID 79760320) is [3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for [3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for [3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone is CNCC1CCCN(C(=O)C2CCOC2C)C1.
What is the InChIKey of [3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone?
The InChIKey is CPVJKKXYQPRCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-12(5-7-17-10)13(16)15-6-3-4-11(9-15)8-14-2/h10-12,14H,3-9H2,1-2H3.
What are the key properties of [3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone?
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 79760320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).