2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone

C17H27N3OS — CID 83979359

IUPAC2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESCC1CCCN(C(=O)C(c2cccs2)N2CCNC(C)C2)C1
InChIInChI=1S/C17H27N3OS/c1-13-5-3-8-20(11-13)17(21)16(15-6-4-10-22-15)19-9-7-18-14(2)12-19/h4,6,10,13-14,16,18H,3,5,7-9,11-12H2,1-2H3
InChIKeyMOSKEPJDDVJHQZ-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.34
Rot. Bonds3

About 2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone

2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 83979359) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is 2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone
PubChem CID83979359
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESCC1CCCN(C(=O)C(c2cccs2)N2CCNC(C)C2)C1
InChIInChI=1S/C17H27N3OS/c1-13-5-3-8-20(11-13)17(21)16(15-6-4-10-22-15)19-9-7-18-14(2)12-19/h4,6,10,13-14,16,18H,3,5,7-9,11-12H2,1-2H3
InChIKeyMOSKEPJDDVJHQZ-UHFFFAOYSA-N
XLogP2.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone with MolForge

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Related Compounds

2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 83979348
1-(azepan-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
CID 83979472
2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
CID 83979355
1-(azepan-1-yl)-2-piperazin-1-yl-2-thiophen-2-ylethanone
CID 83979370
1-(4-hydroxypiperidin-1-yl)-2-(3-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
CID 83979467
1-[cyclopropyl(thiophen-2-yl)methyl]-3-methylpiperazine
CID 65417458
3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)-2-piperazin-1-ylethanone
CID 83978153
2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
CID 83979354
1-(azepan-1-yl)-2-(3-methylpiperazin-1-yl)-2-pyridin-2-ylethanone
CID 83980147
[(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 104976373
(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576625

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone (CID 83979359) is 2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone is CC1CCCN(C(=O)C(c2cccs2)N2CCNC(C)C2)C1.
What is the InChIKey of 2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is MOSKEPJDDVJHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-13-5-3-8-20(11-13)17(21)16(15-6-4-10-22-15)19-9-7-18-14(2)12-19/h4,6,10,13-14,16,18H,3,5,7-9,11-12H2,1-2H3.
What are the key properties of 2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone?
2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 321.49 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 83979359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).