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

C13H25N3O — CID 116674572

IUPAC2-(azetidin-3-yl)-1-(4-propylpiperazin-1-yl)propan-1-one
SMILESCCCN1CCN(C(=O)C(C)C2CNC2)CC1
InChIInChI=1S/C13H25N3O/c1-3-4-15-5-7-16(8-6-15)13(17)11(2)12-9-14-10-12/h11-12,14H,3-10H2,1-2H3
InChIKeyAUUMVAZMBJIIBK-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.40
Rot. Bonds4

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

2-(azetidin-3-yl)-1-(4-propylpiperazin-1-yl)propan-1-one (PubChem CID 116674572) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(4-propylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(4-propylpiperazin-1-yl)propan-1-one
PubChem CID116674572
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(azetidin-3-yl)-1-(4-propylpiperazin-1-yl)propan-1-one
SMILESCCCN1CCN(C(=O)C(C)C2CNC2)CC1
InChIInChI=1S/C13H25N3O/c1-3-4-15-5-7-16(8-6-15)13(17)11(2)12-9-14-10-12/h11-12,14H,3-10H2,1-2H3
InChIKeyAUUMVAZMBJIIBK-UHFFFAOYSA-N
XLogP0.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide
CID 116676223
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-ethylpyrrolidin-1-yl)propan-1-one
CID 116678920
2-(azetidin-3-yl)-1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one
CID 116676746
2-(azetidin-3-yl)-1-(4-methylazepan-1-yl)propan-1-one
CID 116677899
2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 116674439
1-[2-(azetidin-3-yl)propanoyl]-1,4-diazepan-5-one
CID 116677784
1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropylpropan-1-one
CID 83146972
2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 116674991
2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone
CID 11232518
(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 94915615

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(4-propylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-(4-propylpiperazin-1-yl)propan-1-one (CID 116674572) is 2-(azetidin-3-yl)-1-(4-propylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(4-propylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-(4-propylpiperazin-1-yl)propan-1-one is CCCN1CCN(C(=O)C(C)C2CNC2)CC1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(4-propylpiperazin-1-yl)propan-1-one?
The InChIKey is AUUMVAZMBJIIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-4-15-5-7-16(8-6-15)13(17)11(2)12-9-14-10-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-1-(4-propylpiperazin-1-yl)propan-1-one?
2-(azetidin-3-yl)-1-(4-propylpiperazin-1-yl)propan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(4-propylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 116674572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).