[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone

C15H16N2O2S2 — CID 2896965

IUPAC[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCC1CN(C(=O)c2cccs2)CCN1C(=O)c1cccs1
InChIInChI=1S/C15H16N2O2S2/c1-11-10-16(14(18)12-4-2-8-20-12)6-7-17(11)15(19)13-5-3-9-21-13/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyUGLJUNYHYBZBAO-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.80
Rot. Bonds2

About [3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone

[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 2896965) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is [3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID2896965
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCC1CN(C(=O)c2cccs2)CCN1C(=O)c1cccs1
InChIInChI=1S/C15H16N2O2S2/c1-11-10-16(14(18)12-4-2-8-20-12)6-7-17(11)15(19)13-5-3-9-21-13/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyUGLJUNYHYBZBAO-UHFFFAOYSA-N
XLogP2.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxylate
CID 97176950
(3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 110602244
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 110658125
[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705008
[(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705304
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-thiophen-2-ylmethanone
CID 78992376
(2-methylpiperidin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 17224089
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
methyl 4-[3-methyl-4-(thiophene-2-carbonyl)piperazine-1-carbonyl]-2-phenyl-6-propan-2-ylpyrimidine-5-carboxylate
CID 3665174

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 2896965) is [3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone is CC1CN(C(=O)c2cccs2)CCN1C(=O)c1cccs1.
What is the InChIKey of [3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is UGLJUNYHYBZBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-11-10-16(14(18)12-4-2-8-20-12)6-7-17(11)15(19)13-5-3-9-21-13/h2-5,8-9,11H,6-7,10H2,1H3.
What are the key properties of [3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 320.44 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 2896965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).