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

C16H14Cl2N2O2S — CID 18115100

IUPAC(2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cccs1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H14Cl2N2O2S/c17-12-4-1-3-11(14(12)18)15(21)19-6-8-20(9-7-19)16(22)13-5-2-10-23-13/h1-5,10H,6-9H2
InChIKeyBSZIGBYLGJUCHF-UHFFFAOYSA-N
MW369.27 g/mol
LogP3.65
Rot. Bonds2

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

(2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 18115100) has the molecular formula C16H14Cl2N2O2S and a molecular weight of 369.27 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
PubChem CID18115100
Molecular FormulaC16H14Cl2N2O2S
Molecular Weight369.27 g/mol
Exact Mass368.02
IUPAC Name(2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cccs1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H14Cl2N2O2S/c17-12-4-1-3-11(14(12)18)15(21)19-6-8-20(9-7-19)16(22)13-5-2-10-23-13/h1-5,10H,6-9H2
InChIKeyBSZIGBYLGJUCHF-UHFFFAOYSA-N
XLogP3.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113080481
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 110346797
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
[4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90511220
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
(2-methylphenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798106
[4-(2-chlorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 4295836
thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 29023726
(2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 86996550
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55586250
(2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 106852804

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone (CID 18115100) is (2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is O=C(c1cccs1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of (2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is BSZIGBYLGJUCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2S/c17-12-4-1-3-11(14(12)18)15(21)19-6-8-20(9-7-19)16(22)13-5-2-10-23-13/h1-5,10H,6-9H2.
What are the key properties of (2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone?
(2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 369.27 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 18115100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).