(5-chloro-2-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone

C15H20ClN3O — CID 82883104

IUPAC(5-chloro-2-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
SMILESCc1ccc(Cl)cc1C(=O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C15H20ClN3O/c1-11-2-3-12(16)8-14(11)15(20)19-9-13(10-19)18-6-4-17-5-7-18/h2-3,8,13,17H,4-7,9-10H2,1H3
InChIKeyRMYANIZXFWCEHS-UHFFFAOYSA-N
MW293.80 g/mol
LogP1.38
Rot. Bonds2

About (5-chloro-2-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone

(5-chloro-2-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone (PubChem CID 82883104) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
PubChem CID82883104
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name(5-chloro-2-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
SMILESCc1ccc(Cl)cc1C(=O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C15H20ClN3O/c1-11-2-3-12(16)8-14(11)15(20)19-9-13(10-19)18-6-4-17-5-7-18/h2-3,8,13,17H,4-7,9-10H2,1H3
InChIKeyRMYANIZXFWCEHS-UHFFFAOYSA-N
XLogP1.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82883730
(2-bromo-5-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 81111440
(4-chloro-2-fluorophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995650
(5-chloro-2-ethylsulfanylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997656
(2-chloro-4-fluoro-5-methylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996493
(5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115532894
(3-methylfuran-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66203007
(5-chloro-2-fluorophenyl)-piperazin-1-ylmethanone
CID 16769233
(4-chloro-2-methylphenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 113351170
(5-chloro-2-methylphenyl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 82883411
(3-piperazin-1-ylazetidin-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 66203787
N-(4-chlorophenyl)-3-piperazin-1-ylazetidine-1-carboxamide
CID 66196929

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone (CID 82883104) is (5-chloro-2-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone is Cc1ccc(Cl)cc1C(=O)N1CC(N2CCNCC2)C1.
What is the InChIKey of (5-chloro-2-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The InChIKey is RMYANIZXFWCEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-11-2-3-12(16)8-14(11)15(20)19-9-13(10-19)18-6-4-17-5-7-18/h2-3,8,13,17H,4-7,9-10H2,1H3.
What are the key properties of (5-chloro-2-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
(5-chloro-2-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone has a molecular weight of 293.80 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 82883104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).