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

C15H15ClN2OS — CID 776050

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H15ClN2OS/c16-12-3-5-13(6-4-12)17-7-9-18(10-8-17)15(19)14-2-1-11-20-14/h1-6,11H,7-10H2
InChIKeySMBMBXCETXYPEU-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.36
Rot. Bonds2

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

[4-(4-chlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 776050) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID776050
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H15ClN2OS/c16-12-3-5-13(6-4-12)17-7-9-18(10-8-17)15(19)14-2-1-11-20-14/h1-6,11H,7-10H2
InChIKeySMBMBXCETXYPEU-UHFFFAOYSA-N
XLogP3.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Chloroanilino)-1-(2-thienyl)-1-propanone
CID 587745
Thiophene-2-carboxylic acid (4-chloro-phenyl)-amide
CID 728651
N-(3-chlorophenyl)thiophene-2-carboxamide
CID 531925
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
[4-(3-Chlorophenyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 2443218
AJ-292/14128010
CID 669834
N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075548
1-(4-Chlorophenyl)-4-[(4,5-dimethyl-3-thienyl)carbonyl]piperazine
CID 1247359
1-(5-Chlorothiophen-2-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]butane-1,4-dione
CID 4787588
N-(4-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 4882299
N-(1-benzylpiperidin-4-yl)-N-(4-chlorophenyl)thiophene-2-carboxamide
CID 44319043

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 776050) is [4-(4-chlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is SMBMBXCETXYPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-12-3-5-13(6-4-12)17-7-9-18(10-8-17)15(19)14-2-1-11-20-14/h1-6,11H,7-10H2.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(4-chlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 306.82 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 776050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).