[5-methyl-2-(2-methylpropyl)piperazin-1-yl]-thiophen-2-ylmethanone

C14H22N2OS — CID 82246938

IUPAC[5-methyl-2-(2-methylpropyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCC(C)CC1CNC(C)CN1C(=O)c1cccs1
InChIInChI=1S/C14H22N2OS/c1-10(2)7-12-8-15-11(3)9-16(12)14(17)13-5-4-6-18-13/h4-6,10-12,15H,7-9H2,1-3H3
InChIKeyARWMKENHEYRZSV-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.60
Rot. Bonds3

About [5-methyl-2-(2-methylpropyl)piperazin-1-yl]-thiophen-2-ylmethanone

[5-methyl-2-(2-methylpropyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 82246938) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is [5-methyl-2-(2-methylpropyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[5-methyl-2-(2-methylpropyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID82246938
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name[5-methyl-2-(2-methylpropyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCC(C)CC1CNC(C)CN1C(=O)c1cccs1
InChIInChI=1S/C14H22N2OS/c1-10(2)7-12-8-15-11(3)9-16(12)14(17)13-5-4-6-18-13/h4-6,10-12,15H,7-9H2,1-3H3
InChIKeyARWMKENHEYRZSV-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 82245066
[(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705304
[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705008
[(3aS,6aR)-2-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-2-ylmethanone
CID 97457824
(3-methylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
CID 119576927
[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2896965
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 102786621
(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
CID 82242378
(2,5-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 64979980
[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 82250597
2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116680820
(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 25283897

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(2-methylpropyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [5-methyl-2-(2-methylpropyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 82246938) is [5-methyl-2-(2-methylpropyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [5-methyl-2-(2-methylpropyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [5-methyl-2-(2-methylpropyl)piperazin-1-yl]-thiophen-2-ylmethanone is CC(C)CC1CNC(C)CN1C(=O)c1cccs1.
What is the InChIKey of [5-methyl-2-(2-methylpropyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is ARWMKENHEYRZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)7-12-8-15-11(3)9-16(12)14(17)13-5-4-6-18-13/h4-6,10-12,15H,7-9H2,1-3H3.
What are the key properties of [5-methyl-2-(2-methylpropyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[5-methyl-2-(2-methylpropyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 266.41 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(2-methylpropyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 82246938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).