N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide

C14H23N3OS — CID 54873710

IUPACN-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide
SMILESCc1ccc(C(C)N(C)C(=O)CN2CCNCC2)s1
InChIInChI=1S/C14H23N3OS/c1-11-4-5-13(19-11)12(2)16(3)14(18)10-17-8-6-15-7-9-17/h4-5,12,15H,6-10H2,1-3H3
InChIKeyAFRPLRUSIGRTEH-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.48
Rot. Bonds4

About N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide

N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide (PubChem CID 54873710) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide
PubChem CID54873710
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide
SMILESCc1ccc(C(C)N(C)C(=O)CN2CCNCC2)s1
InChIInChI=1S/C14H23N3OS/c1-11-4-5-13(19-11)12(2)16(3)14(18)10-17-8-6-15-7-9-17/h4-5,12,15H,6-10H2,1-3H3
InChIKeyAFRPLRUSIGRTEH-UHFFFAOYSA-N
XLogP1.48
TPSA35.58 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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide (CID 54873710) is N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide is Cc1ccc(C(C)N(C)C(=O)CN2CCNCC2)s1.
What is the InChIKey of N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide?
The InChIKey is AFRPLRUSIGRTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-11-4-5-13(19-11)12(2)16(3)14(18)10-17-8-6-15-7-9-17/h4-5,12,15H,6-10H2,1-3H3.
What are the key properties of N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide?
N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide has a molecular weight of 281.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 54873710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).