3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-one

C17H19ClN2OS — CID 10830587

IUPAC3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1cccs1
InChIInChI=1S/C17H19ClN2OS/c18-14-3-5-15(6-4-14)20-11-9-19(10-12-20)8-7-16(21)17-2-1-13-22-17/h1-6,13H,7-12H2
InChIKeyVUMYYEKTFQKNCI-UHFFFAOYSA-N
MW334.87 g/mol
LogP3.80
Rot. Bonds5

About 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-one

3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-one (PubChem CID 10830587) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-one
PubChem CID10830587
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1cccs1
InChIInChI=1S/C17H19ClN2OS/c18-14-3-5-15(6-4-14)20-11-9-19(10-12-20)8-7-16(21)17-2-1-13-22-17/h1-6,13H,7-12H2
InChIKeyVUMYYEKTFQKNCI-UHFFFAOYSA-N
XLogP3.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Chloroanilino)-1-(2-thienyl)-1-propanone
CID 587745
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
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-(1-benzylpiperidin-4-yl)-N-(4-chlorophenyl)thiophene-2-carboxamide
CID 44319043
1-(4-Chlorophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763774
(5-Chlorothiophen-2-yl)(4-phenylpiperazin-1-yl)methanone
CID 1245506
N-(5-chloro-2-piperidinophenyl)-2-thiophenecarboxamide
CID 1489366
3-[(3,5-Dichlorophenyl)amino]-1-(2-thienyl)-1-propanone
CID 2230040
N-(5-chloro-2-piperidin-1-ylphenyl)-5-methylthiophene-2-carboxamide
CID 2438704

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-one (CID 10830587) is 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-one is O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)c1cccs1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-one?
The InChIKey is VUMYYEKTFQKNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c18-14-3-5-15(6-4-14)20-11-9-19(10-12-20)8-7-16(21)17-2-1-13-22-17/h1-6,13H,7-12H2.
What are the key properties of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-one?
3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-one has a molecular weight of 334.87 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 10830587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).