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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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).