4-[2-amino-1-(3-methylthiophen-2-yl)butyl]-1-methylpiperazin-2-one

C14H23N3OS — CID 64682162

IUPAC4-[2-amino-1-(3-methylthiophen-2-yl)butyl]-1-methylpiperazin-2-one
SMILESCCC(N)C(c1sccc1C)N1CCN(C)C(=O)C1
InChIInChI=1S/C14H23N3OS/c1-4-11(15)13(14-10(2)5-8-19-14)17-7-6-16(3)12(18)9-17/h5,8,11,13H,4,6-7,9,15H2,1-3H3
InChIKeyYFTWKUDARROIQW-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.61
Rot. Bonds4

About 4-[2-amino-1-(3-methylthiophen-2-yl)butyl]-1-methylpiperazin-2-one

4-[2-amino-1-(3-methylthiophen-2-yl)butyl]-1-methylpiperazin-2-one (PubChem CID 64682162) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[2-amino-1-(3-methylthiophen-2-yl)butyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-amino-1-(3-methylthiophen-2-yl)butyl]-1-methylpiperazin-2-one
PubChem CID64682162
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name4-[2-amino-1-(3-methylthiophen-2-yl)butyl]-1-methylpiperazin-2-one
SMILESCCC(N)C(c1sccc1C)N1CCN(C)C(=O)C1
InChIInChI=1S/C14H23N3OS/c1-4-11(15)13(14-10(2)5-8-19-14)17-7-6-16(3)12(18)9-17/h5,8,11,13H,4,6-7,9,15H2,1-3H3
InChIKeyYFTWKUDARROIQW-UHFFFAOYSA-N
XLogP1.61
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine
CID 63603320
1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
CID 66391668
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 115558987
2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol
CID 107227140
4-[2-amino-1-(3-methylthiophen-2-yl)propyl]piperazine-2,6-dione
CID 66085243
1-(3-methylthiophen-2-yl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine
CID 103505344
1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylbutan-2-amine
CID 55021852
[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777725
1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine
CID 63603317
1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 113416980
1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine
CID 62772448
3-[2-amino-1-(3-methylthiophen-2-yl)butyl]sulfanylbutan-2-ol
CID 107770577

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(3-methylthiophen-2-yl)butyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-amino-1-(3-methylthiophen-2-yl)butyl]-1-methylpiperazin-2-one (CID 64682162) is 4-[2-amino-1-(3-methylthiophen-2-yl)butyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-amino-1-(3-methylthiophen-2-yl)butyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-amino-1-(3-methylthiophen-2-yl)butyl]-1-methylpiperazin-2-one is CCC(N)C(c1sccc1C)N1CCN(C)C(=O)C1.
What is the InChIKey of 4-[2-amino-1-(3-methylthiophen-2-yl)butyl]-1-methylpiperazin-2-one?
The InChIKey is YFTWKUDARROIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-4-11(15)13(14-10(2)5-8-19-14)17-7-6-16(3)12(18)9-17/h5,8,11,13H,4,6-7,9,15H2,1-3H3.
What are the key properties of 4-[2-amino-1-(3-methylthiophen-2-yl)butyl]-1-methylpiperazin-2-one?
4-[2-amino-1-(3-methylthiophen-2-yl)butyl]-1-methylpiperazin-2-one has a molecular weight of 281.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(3-methylthiophen-2-yl)butyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64682162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).