(3-chlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

C16H15ClN2O2S — CID 717246

IUPAC(3-chlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C16H15ClN2O2S/c17-13-4-1-3-12(11-13)15(20)18-6-8-19(9-7-18)16(21)14-5-2-10-22-14/h1-5,10-11H,6-9H2
InChIKeyRQUNJVUPVAUKAI-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.00
Rot. Bonds2

About (3-chlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

(3-chlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 717246) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
PubChem CID717246
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name(3-chlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C16H15ClN2O2S/c17-13-4-1-3-12(11-13)15(20)18-6-8-19(9-7-18)16(21)14-5-2-10-22-14/h1-5,10-11H,6-9H2
InChIKeyRQUNJVUPVAUKAI-UHFFFAOYSA-N
XLogP3.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene-2-carboxylic acid [2-(4-chloro-phenyl)-2-oxo-ethyl]-amide
CID 856372
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
Dipeptidyl nitrile inhibitor, 22
CID 44224132
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
2-chloro-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 9507811
N-[(3-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 16378179
3,4-dichloro-N-(2-thiophen-2-ylethyl)benzamide
CID 1511025
4-Benzylpiperazinyl 2-thienyl ketone
CID 757483
3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 4035024
N2-{2-[2-(3-chlorobenzoyl)hydrazino]-2-oxoethyl}-4-methylthiophene-2-carboxamide
CID 2808314
N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 844899

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (CID 717246) is (3-chlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of (3-chlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is RQUNJVUPVAUKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c17-13-4-1-3-12(11-13)15(20)18-6-8-19(9-7-18)16(21)14-5-2-10-22-14/h1-5,10-11H,6-9H2.
What are the key properties of (3-chlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
(3-chlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 334.83 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 717246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).