1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone

C18H21ClN2OS — CID 113074569

IUPAC1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21ClN2OS/c19-16-5-3-15(4-6-16)7-8-20-9-11-21(12-10-20)18(22)14-17-2-1-13-23-17/h1-6,13H,7-12,14H2
InChIKeyTVMCMKCMWOJSKT-UHFFFAOYSA-N
MW348.90 g/mol
LogP3.33
Rot. Bonds5

About 1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone

1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 113074569) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is 1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID113074569
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC Name1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21ClN2OS/c19-16-5-3-15(4-6-16)7-8-20-9-11-21(12-10-20)18(22)14-17-2-1-13-23-17/h1-6,13H,7-12,14H2
InChIKeyTVMCMKCMWOJSKT-UHFFFAOYSA-N
XLogP3.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
N-[2-(4-chlorophenyl)ethyl]-4-(2-thiophen-2-ylethyl)piperazine-1-carbothioamide
CID 3742317
2-(4-chlorophenyl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 113074346
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554273
1-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 71780254
3-(4-methylphenyl)-1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110798620
1-[4-[(2R)-2-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 92771925
2-(4-chlorophenoxy)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 108535922
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 46358436
2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022679
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
CID 110721392
2-(2-fluorophenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110818292

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone (CID 113074569) is 1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCN(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is TVMCMKCMWOJSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c19-16-5-3-15(4-6-16)7-8-20-9-11-21(12-10-20)18(22)14-17-2-1-13-23-17/h1-6,13H,7-12,14H2.
What are the key properties of 1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 348.90 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 113074569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).