[2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride

C16H18Cl2N2O2S — CID 120739287

IUPAC[2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride
SMILESCOc1csc(C(=O)N2CCNCC2c2ccccc2Cl)c1.Cl
InChIInChI=1S/C16H17ClN2O2S.ClH/c1-21-11-8-15(22-10-11)16(20)19-7-6-18-9-14(19)12-4-2-3-5-13(12)17;/h2-5,8,10,14,18H,6-7,9H2,1H3;1H
InChIKeyQAEUCEPBFMYIGY-UHFFFAOYSA-N
MW373.31 g/mol
LogP3.62
Rot. Bonds3

About [2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride

[2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride (PubChem CID 120739287) has the molecular formula C16H18Cl2N2O2S and a molecular weight of 373.31 g/mol. Its IUPAC name is [2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride
PubChem CID120739287
Molecular FormulaC16H18Cl2N2O2S
Molecular Weight373.31 g/mol
Exact Mass372.05
IUPAC Name[2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride
SMILESCOc1csc(C(=O)N2CCNCC2c2ccccc2Cl)c1.Cl
InChIInChI=1S/C16H17ClN2O2S.ClH/c1-21-11-8-15(22-10-11)16(20)19-7-6-18-9-14(19)12-4-2-3-5-13(12)17;/h2-5,8,10,14,18H,6-7,9H2,1H3;1H
InChIKeyQAEUCEPBFMYIGY-UHFFFAOYSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[2-(2-chlorophenyl)piperazine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
CID 120739301
5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide
CID 120739064
[2-(2-chlorophenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone;hydrochloride
CID 120738665
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 120738747
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one
CID 120738181
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
CID 120739061
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
[2-(2-chlorophenyl)piperazin-1-yl]-imidazo[5,1-b][1,3]thiazol-3-ylmethanone
CID 120739264
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 120738738
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675
(5-bromothiophen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734960

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride?
The IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride (CID 120739287) is [2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride?
The canonical SMILES for [2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride is COc1csc(C(=O)N2CCNCC2c2ccccc2Cl)c1.Cl.
What is the InChIKey of [2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride?
The InChIKey is QAEUCEPBFMYIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S.ClH/c1-21-11-8-15(22-10-11)16(20)19-7-6-18-9-14(19)12-4-2-3-5-13(12)17;/h2-5,8,10,14,18H,6-7,9H2,1H3;1H.
What are the key properties of [2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride?
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride has a molecular weight of 373.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 120739287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).