2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one

C13H24N2O — CID 116677760

IUPAC2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCC(C)(C)CC1)C1CNC1
InChIInChI=1S/C13H24N2O/c1-10(11-8-14-9-11)12(16)15-6-4-13(2,3)5-7-15/h10-11,14H,4-9H2,1-3H3
InChIKeyXMNAVUCVIYKMIE-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.49
Rot. Bonds2

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

2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one (PubChem CID 116677760) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one
PubChem CID116677760
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCC(C)(C)CC1)C1CNC1
InChIInChI=1S/C13H24N2O/c1-10(11-8-14-9-11)12(16)15-6-4-13(2,3)5-7-15/h10-11,14H,4-9H2,1-3H3
InChIKeyXMNAVUCVIYKMIE-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 116674207
2-(azetidin-3-yl)-1-(4-methylazepan-1-yl)propan-1-one
CID 116677899
4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide
CID 116676223
2-(azetidin-3-yl)-1-(4-propylpiperazin-1-yl)propan-1-one
CID 116674572
1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 58959831
2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 116678920
1-[2-(azetidin-3-yl)propanoyl]-1,4-diazepan-5-one
CID 116677784
2-cyclopropyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103727494
2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 116674991
2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 116674439
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(azetidin-3-yl)propan-1-one
CID 116676460
2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one
CID 116674265

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one (CID 116677760) is 2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one is CC(C(=O)N1CCC(C)(C)CC1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one?
The InChIKey is XMNAVUCVIYKMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(11-8-14-9-11)12(16)15-6-4-13(2,3)5-7-15/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one?
2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.49, 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-(4,4-dimethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 116677760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).