2-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide

C16H27N3OS — CID 3243425

IUPAC2-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
SMILESCC(C)C(=O)NC(C)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C16H27N3OS/c1-12(2)16(20)17-13(3)15(14-6-5-11-21-14)19-9-7-18(4)8-10-19/h5-6,11-13,15H,7-10H2,1-4H3,(H,17,20)
InChIKeyVMGZYTWFQVGXIF-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.20
Rot. Bonds5

About 2-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide

2-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide (PubChem CID 3243425) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
PubChem CID3243425
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name2-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
SMILESCC(C)C(=O)NC(C)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C16H27N3OS/c1-12(2)16(20)17-13(3)15(14-6-5-11-21-14)19-9-7-18(4)8-10-19/h5-6,11-13,15H,7-10H2,1-4H3,(H,17,20)
InChIKeyVMGZYTWFQVGXIF-UHFFFAOYSA-N
XLogP2.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide (CID 3243425) is 2-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide is CC(C)C(=O)NC(C)C(c1cccs1)N1CCN(C)CC1.
What is the InChIKey of 2-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide?
The InChIKey is VMGZYTWFQVGXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-12(2)16(20)17-13(3)15(14-6-5-11-21-14)19-9-7-18(4)8-10-19/h5-6,11-13,15H,7-10H2,1-4H3,(H,17,20).
What are the key properties of 2-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide?
2-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide has a molecular weight of 309.48 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide is sourced from PubChem (CID 3243425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).