2-piperidin-1-yl-1-[3-(propan-2-yloxymethyl)azetidin-1-yl]ethanone

C14H26N2O2 — CID 177010651

IUPAC2-piperidin-1-yl-1-[3-(propan-2-yloxymethyl)azetidin-1-yl]ethanone
SMILESCC(C)OCC1CN(C(=O)CN2CCCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-12(2)18-11-13-8-16(9-13)14(17)10-15-6-4-3-5-7-15/h12-13H,3-11H2,1-2H3
InChIKeyFDFWQHNOADTZCC-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.36
Rot. Bonds5

About 2-piperidin-1-yl-1-[3-(propan-2-yloxymethyl)azetidin-1-yl]ethanone

2-piperidin-1-yl-1-[3-(propan-2-yloxymethyl)azetidin-1-yl]ethanone (PubChem CID 177010651) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-piperidin-1-yl-1-[3-(propan-2-yloxymethyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-piperidin-1-yl-1-[3-(propan-2-yloxymethyl)azetidin-1-yl]ethanone
PubChem CID177010651
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-piperidin-1-yl-1-[3-(propan-2-yloxymethyl)azetidin-1-yl]ethanone
SMILESCC(C)OCC1CN(C(=O)CN2CCCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-12(2)18-11-13-8-16(9-13)14(17)10-15-6-4-3-5-7-15/h12-13H,3-11H2,1-2H3
InChIKeyFDFWQHNOADTZCC-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78898292
2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78903326
N-methyl-2-[4-(2-methylpropoxy)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 78903328
(2S)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-3-methylbutan-1-one
CID 71855127
[1-[2-(Dimethylamino)acetyl]piperidin-4-yl] acetate
CID 67707547
2-(Dimethylamino)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 68267285
2-(4-Methylpiperazin-1-yl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 68267286
2-Amino-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
CID 83625809
2-(Dimethylamino)-1-(4-methoxypiperidin-1-yl)ethanone
CID 118569723
2-(Methylamino)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
CID 119743031
2-(4-Ethylpiperidin-1-yl)-1-(3-methoxyazetidin-1-yl)ethanone;methane
CID 156799036
1-[4-(2-Methylpropoxy)piperidin-1-yl]ethanone
CID 156802652

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1-[3-(propan-2-yloxymethyl)azetidin-1-yl]ethanone?
The IUPAC name of 2-piperidin-1-yl-1-[3-(propan-2-yloxymethyl)azetidin-1-yl]ethanone (CID 177010651) is 2-piperidin-1-yl-1-[3-(propan-2-yloxymethyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-piperidin-1-yl-1-[3-(propan-2-yloxymethyl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-piperidin-1-yl-1-[3-(propan-2-yloxymethyl)azetidin-1-yl]ethanone is CC(C)OCC1CN(C(=O)CN2CCCCC2)C1.
What is the InChIKey of 2-piperidin-1-yl-1-[3-(propan-2-yloxymethyl)azetidin-1-yl]ethanone?
The InChIKey is FDFWQHNOADTZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(2)18-11-13-8-16(9-13)14(17)10-15-6-4-3-5-7-15/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-piperidin-1-yl-1-[3-(propan-2-yloxymethyl)azetidin-1-yl]ethanone?
2-piperidin-1-yl-1-[3-(propan-2-yloxymethyl)azetidin-1-yl]ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1-[3-(propan-2-yloxymethyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 177010651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).