2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

C18H21ClN2O2S — CID 120733797

IUPAC2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1C1CNCCN1C(=O)C(C)c1ccc(Cl)s1
InChIInChI=1S/C18H21ClN2O2S/c1-12(16-7-8-17(19)24-16)18(22)21-10-9-20-11-14(21)13-5-3-4-6-15(13)23-2/h3-8,12,14,20H,9-11H2,1-2H3
InChIKeyIBCNZLRDAHTORL-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.69
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one

2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 120733797) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID120733797
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1C1CNCCN1C(=O)C(C)c1ccc(Cl)s1
InChIInChI=1S/C18H21ClN2O2S/c1-12(16-7-8-17(19)24-16)18(22)21-10-9-20-11-14(21)13-5-3-4-6-15(13)23-2/h3-8,12,14,20H,9-11H2,1-2H3
InChIKeyIBCNZLRDAHTORL-UHFFFAOYSA-N
XLogP3.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119470836
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 120732830
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
CID 120734753
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenoxypropan-1-one
CID 120732873
2-(5-chlorothiophen-2-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878687
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one
CID 120738181
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 120733699
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-prop-2-enylpent-4-en-1-one;hydrochloride
CID 120734201
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120734114
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one
CID 120733367
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120733049

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 120733797) is 2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is COc1ccccc1C1CNCCN1C(=O)C(C)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is IBCNZLRDAHTORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-12(16-7-8-17(19)24-16)18(22)21-10-9-20-11-14(21)13-5-3-4-6-15(13)23-2/h3-8,12,14,20H,9-11H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one?
2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 364.90 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 120733797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).