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

C16H23N3O — CID 116674439

IUPAC2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(c2ccccc2)CC1)C1CNC1
InChIInChI=1S/C16H23N3O/c1-13(14-11-17-12-14)16(20)19-9-7-18(8-10-19)15-5-3-2-4-6-15/h2-6,13-14,17H,7-12H2,1H3
InChIKeyWWARGEUPPAOLRW-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.19
Rot. Bonds3

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

2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 116674439) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID116674439
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(c2ccccc2)CC1)C1CNC1
InChIInChI=1S/C16H23N3O/c1-13(14-11-17-12-14)16(20)19-9-7-18(8-10-19)15-5-3-2-4-6-15/h2-6,13-14,17H,7-12H2,1H3
InChIKeyWWARGEUPPAOLRW-UHFFFAOYSA-N
XLogP1.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276559
2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110416964
2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 116674207
4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide
CID 116676223
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 79195732
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248828
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119826867
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one
CID 75389640
(3S)-2-[2-(azetidin-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895614
(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276554

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 116674439) is 2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one is CC(C(=O)N1CCN(c2ccccc2)CC1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is WWARGEUPPAOLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(14-11-17-12-14)16(20)19-9-7-18(8-10-19)15-5-3-2-4-6-15/h2-6,13-14,17H,7-12H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
2-(azetidin-3-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 273.38 g/mol, XLogP of 1.19, 3 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-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 116674439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).