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

C13H24N2O — CID 116677899

IUPAC2-(azetidin-3-yl)-1-(4-methylazepan-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)C(C)C2CNC2)CC1
InChIInChI=1S/C13H24N2O/c1-10-4-3-6-15(7-5-10)13(16)11(2)12-8-14-9-12/h10-12,14H,3-9H2,1-2H3
InChIKeyFAHOBIDORRINHN-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.49
Rot. Bonds2

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

2-(azetidin-3-yl)-1-(4-methylazepan-1-yl)propan-1-one (PubChem CID 116677899) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(4-methylazepan-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(4-methylazepan-1-yl)propan-1-one
PubChem CID116677899
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(azetidin-3-yl)-1-(4-methylazepan-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)C(C)C2CNC2)CC1
InChIInChI=1S/C13H24N2O/c1-10-4-3-6-15(7-5-10)13(16)11(2)12-8-14-9-12/h10-12,14H,3-9H2,1-2H3
InChIKeyFAHOBIDORRINHN-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-(4,4-dimethylpiperidin-1-yl)propan-1-one
CID 116677760
2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 116674991
2-methyl-3-(4-methylazepan-1-yl)-3-oxopropanoic acid
CID 114898450
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-(2,5-dimethylpiperidin-1-yl)propan-1-one
CID 116678246
1-(4-bromoazepan-1-yl)-2-cyclopropylpropan-1-one
CID 131067617
2-(azetidin-3-yl)-1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one
CID 116676746
2-(aminomethyl)-3-methyl-1-(4-methylazepan-1-yl)butan-1-one
CID 63622833
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

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(4-methylazepan-1-yl)propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-(4-methylazepan-1-yl)propan-1-one (CID 116677899) is 2-(azetidin-3-yl)-1-(4-methylazepan-1-yl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(4-methylazepan-1-yl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-(4-methylazepan-1-yl)propan-1-one is CC1CCCN(C(=O)C(C)C2CNC2)CC1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(4-methylazepan-1-yl)propan-1-one?
The InChIKey is FAHOBIDORRINHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-4-3-6-15(7-5-10)13(16)11(2)12-8-14-9-12/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-1-(4-methylazepan-1-yl)propan-1-one?
2-(azetidin-3-yl)-1-(4-methylazepan-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-methylazepan-1-yl)propan-1-one is sourced from PubChem (CID 116677899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).