[5-(3-chlorophenyl)-4-methylthiophen-2-yl]-piperazin-1-ylmethanone;hydrochloride

C16H18Cl2N2OS — CID 119400371

IUPAC[5-(3-chlorophenyl)-4-methylthiophen-2-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCc1cc(C(=O)N2CCNCC2)sc1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C16H17ClN2OS.ClH/c1-11-9-14(16(20)19-7-5-18-6-8-19)21-15(11)12-3-2-4-13(17)10-12;/h2-4,9-10,18H,5-8H2,1H3;1H
InChIKeyDDCPVQORJWWJAA-UHFFFAOYSA-N
MW357.31 g/mol
LogP3.84
Rot. Bonds2

About [5-(3-chlorophenyl)-4-methylthiophen-2-yl]-piperazin-1-ylmethanone;hydrochloride

[5-(3-chlorophenyl)-4-methylthiophen-2-yl]-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119400371) has the molecular formula C16H18Cl2N2OS and a molecular weight of 357.31 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-4-methylthiophen-2-yl]-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-4-methylthiophen-2-yl]-piperazin-1-ylmethanone;hydrochloride
PubChem CID119400371
Molecular FormulaC16H18Cl2N2OS
Molecular Weight357.31 g/mol
Exact Mass356.05
IUPAC Name[5-(3-chlorophenyl)-4-methylthiophen-2-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCc1cc(C(=O)N2CCNCC2)sc1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C16H17ClN2OS.ClH/c1-11-9-14(16(20)19-7-5-18-6-8-19)21-15(11)12-3-2-4-13(17)10-12;/h2-4,9-10,18H,5-8H2,1H3;1H
InChIKeyDDCPVQORJWWJAA-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-chlorophenyl)-4-methylthiophen-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119621879
[5-(3-chlorophenyl)-4-methylthiophen-2-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023786
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-(1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119416065
5-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide
CID 120888783
[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-piperazin-1-ylmethanone
CID 119403968
2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119400424
(2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403001
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone
CID 119375812
tert-butyl formate;(3-chlorophenyl)-piperazin-1-ylmethanone
CID 174747134
1,4-diazepan-1-yl(4,5-dihydrobenzo[g][1]benzothiol-2-yl)methanone
CID 119415545
5-(3-chlorophenyl)-4-methyl-N-(1-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 98291143
1,4-diazepan-1-yl-(2,6-dichlorophenyl)methanone;hydrochloride
CID 119417664

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-4-methylthiophen-2-yl]-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of [5-(3-chlorophenyl)-4-methylthiophen-2-yl]-piperazin-1-ylmethanone;hydrochloride (CID 119400371) is [5-(3-chlorophenyl)-4-methylthiophen-2-yl]-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [5-(3-chlorophenyl)-4-methylthiophen-2-yl]-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for [5-(3-chlorophenyl)-4-methylthiophen-2-yl]-piperazin-1-ylmethanone;hydrochloride is Cc1cc(C(=O)N2CCNCC2)sc1-c1cccc(Cl)c1.Cl.
What is the InChIKey of [5-(3-chlorophenyl)-4-methylthiophen-2-yl]-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is DDCPVQORJWWJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS.ClH/c1-11-9-14(16(20)19-7-5-18-6-8-19)21-15(11)12-3-2-4-13(17)10-12;/h2-4,9-10,18H,5-8H2,1H3;1H.
What are the key properties of [5-(3-chlorophenyl)-4-methylthiophen-2-yl]-piperazin-1-ylmethanone;hydrochloride?
[5-(3-chlorophenyl)-4-methylthiophen-2-yl]-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 357.31 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-4-methylthiophen-2-yl]-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119400371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).