(2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone

C9H10Cl2N2OS — CID 103629624

IUPAC(2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCNCC1
InChIInChI=1S/C9H10Cl2N2OS/c10-7-5-6(8(11)15-7)9(14)13-3-1-12-2-4-13/h5,12H,1-4H2
InChIKeyVEOGIHGLAUCJJM-UHFFFAOYSA-N
MW265.16 g/mol
LogP2.10
Rot. Bonds1

About (2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone

(2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone (PubChem CID 103629624) has the molecular formula C9H10Cl2N2OS and a molecular weight of 265.16 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone
PubChem CID103629624
Molecular FormulaC9H10Cl2N2OS
Molecular Weight265.16 g/mol
Exact Mass263.99
IUPAC Name(2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCNCC1
InChIInChI=1S/C9H10Cl2N2OS/c10-7-5-6(8(11)15-7)9(14)13-3-1-12-2-4-13/h5,12H,1-4H2
InChIKeyVEOGIHGLAUCJJM-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 103806964
(2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 107962407
4-(2,5-dichlorothiophene-3-carbonyl)piperazine-1-sulfonamide
CID 95979713
1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide
CID 107963606
[4-(1-chloroethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107966408
2-(1,4-diazepan-1-yl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 60710450
[(3R)-3-aminopyrrolidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 103805040
[4-(1-bromoethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107966411
2-[4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]-2-methylpropanethioamide
CID 107961806
(3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride
CID 119482772
(2,5-dichlorothiophen-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856983
(2,5-dichlorothiophen-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 51306337

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone (CID 103629624) is (2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone is O=C(c1cc(Cl)sc1Cl)N1CCNCC1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone?
The InChIKey is VEOGIHGLAUCJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2OS/c10-7-5-6(8(11)15-7)9(14)13-3-1-12-2-4-13/h5,12H,1-4H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone?
(2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone has a molecular weight of 265.16 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 103629624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).