2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

C12H22N2O — CID 116674207

IUPAC2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)C2CNC2)CC1
InChIInChI=1S/C12H22N2O/c1-9-3-5-14(6-4-9)12(15)10(2)11-7-13-8-11/h9-11,13H,3-8H2,1-2H3
InChIKeyASVSRFTVOQBEJX-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.10
Rot. Bonds2

About 2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 116674207) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID116674207
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)C2CNC2)CC1
InChIInChI=1S/C12H22N2O/c1-9-3-5-14(6-4-9)12(15)10(2)11-7-13-8-11/h9-11,13H,3-8H2,1-2H3
InChIKeyASVSRFTVOQBEJX-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-1-(4-methylazepan-1-yl)propan-1-one
CID 116677899
2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one
CID 116677760
2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 116678920
4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide
CID 116676223
2-(azetidin-3-yl)-1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one
CID 116676746
2-(azetidin-3-yl)-1-(4-propylpiperazin-1-yl)propan-1-one
CID 116674572
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one
CID 116674265
2-(azetidin-3-yl)-1-(2,5-dimethylpiperidin-1-yl)propan-1-one
CID 116678246
1-[2-(azetidin-3-yl)propanoyl]-1,4-diazepan-5-one
CID 116677784
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079
2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 116674439

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one (CID 116674207) is 2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)C(C)C2CNC2)CC1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is ASVSRFTVOQBEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-3-5-14(6-4-9)12(15)10(2)11-7-13-8-11/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 116674207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).