[4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone

C14H17Cl2N3O — CID 66201748

IUPAC[4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H17Cl2N3O/c15-11-5-10(6-12(16)7-11)14(20)19-3-1-18(2-4-19)13-8-17-9-13/h5-7,13,17H,1-4,8-9H2
InChIKeyGAXJGQPHFVUIHN-UHFFFAOYSA-N
MW314.22 g/mol
LogP1.72
Rot. Bonds2

About [4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone

[4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone (PubChem CID 66201748) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is [4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone
PubChem CID66201748
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name[4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)cc(Cl)c1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H17Cl2N3O/c15-11-5-10(6-12(16)7-11)14(20)19-3-1-18(2-4-19)13-8-17-9-13/h5-7,13,17H,1-4,8-9H2
InChIKeyGAXJGQPHFVUIHN-UHFFFAOYSA-N
XLogP1.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(azetidin-3-yl)piperazin-1-yl]-(3-bromo-5-chlorophenyl)methanone
CID 107940039
[4-(azetidin-3-yl)piperazin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 79693177
[4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 66202136
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46413225
4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile
CID 66203293
[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone
CID 66204072
[4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 107690345
3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119279427
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495911
(3,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63911168
(4-amino-3,5-dichlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 82833278
[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 66201170

Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone?
The IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone (CID 66201748) is [4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone.
What is the SMILES notation for [4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone?
The canonical SMILES for [4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone is O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C2CNC2)CC1.
What is the InChIKey of [4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone?
The InChIKey is GAXJGQPHFVUIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O/c15-11-5-10(6-12(16)7-11)14(20)19-3-1-18(2-4-19)13-8-17-9-13/h5-7,13,17H,1-4,8-9H2.
What are the key properties of [4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone?
[4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone has a molecular weight of 314.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone is sourced from PubChem (CID 66201748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).