3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one

C14H26N2O2 — CID 113411276

IUPAC3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC1CCC(CNCCC(=O)N2CCCCC2)O1
InChIInChI=1S/C14H26N2O2/c1-12-5-6-13(18-12)11-15-8-7-14(17)16-9-3-2-4-10-16/h12-13,15H,2-11H2,1H3
InChIKeyFKGCGIYAEWSFQS-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.55
Rot. Bonds5

About 3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one

3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 113411276) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID113411276
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC1CCC(CNCCC(=O)N2CCCCC2)O1
InChIInChI=1S/C14H26N2O2/c1-12-5-6-13(18-12)11-15-8-7-14(17)16-9-3-2-4-10-16/h12-13,15H,2-11H2,1H3
InChIKeyFKGCGIYAEWSFQS-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62655429
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methyloxolan-2-yl)propan-1-one
CID 119646888
N-methyl-2-[(5-methyloxolan-2-yl)methylamino]acetamide
CID 82833793
3-(5-methyloxolan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 119402493
(2S,5R)-5-(aminomethyl)-N-[3-(azepan-1-yl)-3-oxopropyl]oxolane-2-carboxamide
CID 120790948
1-(azepan-1-yl)-3-(butylamino)propan-1-one
CID 109012440
N-cyclopropyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 113268579
N-[(5-methyloxolan-2-yl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 82836463
3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 112685112
N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 82836268
N-[(5-methyloxolan-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 82836649
3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one
CID 112686467

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one (CID 113411276) is 3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one is CC1CCC(CNCCC(=O)N2CCCCC2)O1.
What is the InChIKey of 3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is FKGCGIYAEWSFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12-5-6-13(18-12)11-15-8-7-14(17)16-9-3-2-4-10-16/h12-13,15H,2-11H2,1H3.
What are the key properties of 3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one?
3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyloxolan-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 113411276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).