[2,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone

C16H18N2O2S2 — CID 3708850

IUPAC[2,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCC1CN(C(=O)c2cccs2)C(C)CN1C(=O)c1cccs1
InChIInChI=1S/C16H18N2O2S2/c1-11-9-18(16(20)14-6-4-8-22-14)12(2)10-17(11)15(19)13-5-3-7-21-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeyVXWJEDBXCBRIOM-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.18
Rot. Bonds2

About [2,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone

[2,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 3708850) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is [2,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID3708850
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC Name[2,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCC1CN(C(=O)c2cccs2)C(C)CN1C(=O)c1cccs1
InChIInChI=1S/C16H18N2O2S2/c1-11-9-18(16(20)14-6-4-8-22-14)12(2)10-17(11)15(19)13-5-3-7-21-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeyVXWJEDBXCBRIOM-UHFFFAOYSA-N
XLogP3.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
N,N-diethyl-5-thiophen-2-yl-2-thiophenecarboxamide
CID 2740027
N1-methyl-N4-[5-(thien-2-yl)-thien-2-oyl)piperazine
CID 2814290
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 3573521
Thiophen-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 4779966
N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-carboxamide
CID 18573629
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 40233426
(4-Ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 770531
1-(1-Piperidinylsulfonyl)-4-(2-thienylcarbonyl)piperazine
CID 1258912
N-{4-[(2-thienylcarbonyl)amino]butyl}-2-thiophenecarboxamide
CID 1752547
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylthiophen-3-yl)-methanone
CID 11624178

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 3708850) is [2,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone is CC1CN(C(=O)c2cccs2)C(C)CN1C(=O)c1cccs1.
What is the InChIKey of [2,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is VXWJEDBXCBRIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c1-11-9-18(16(20)14-6-4-8-22-14)12(2)10-17(11)15(19)13-5-3-7-21-13/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of [2,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[2,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 334.47 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 3708850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).