2-methyl-2-piperazin-1-yl-N-(1-thiophen-2-ylbutyl)propanamide

C16H27N3OS — CID 80547520

IUPAC2-methyl-2-piperazin-1-yl-N-(1-thiophen-2-ylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)(C)N1CCNCC1)c1cccs1
InChIInChI=1S/C16H27N3OS/c1-4-6-13(14-7-5-12-21-14)18-15(20)16(2,3)19-10-8-17-9-11-19/h5,7,12-13,17H,4,6,8-11H2,1-3H3,(H,18,20)
InChIKeySGAWYGMMOJZPLT-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.39
Rot. Bonds6

About 2-methyl-2-piperazin-1-yl-N-(1-thiophen-2-ylbutyl)propanamide

2-methyl-2-piperazin-1-yl-N-(1-thiophen-2-ylbutyl)propanamide (PubChem CID 80547520) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-yl-N-(1-thiophen-2-ylbutyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-yl-N-(1-thiophen-2-ylbutyl)propanamide
PubChem CID80547520
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name2-methyl-2-piperazin-1-yl-N-(1-thiophen-2-ylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)(C)N1CCNCC1)c1cccs1
InChIInChI=1S/C16H27N3OS/c1-4-6-13(14-7-5-12-21-14)18-15(20)16(2,3)19-10-8-17-9-11-19/h5,7,12-13,17H,4,6,8-11H2,1-3H3,(H,18,20)
InChIKeySGAWYGMMOJZPLT-UHFFFAOYSA-N
XLogP2.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperazin-1-yl-N-(1-thiophen-2-ylbutyl)propanamide?
The IUPAC name of 2-methyl-2-piperazin-1-yl-N-(1-thiophen-2-ylbutyl)propanamide (CID 80547520) is 2-methyl-2-piperazin-1-yl-N-(1-thiophen-2-ylbutyl)propanamide.
What is the SMILES notation for 2-methyl-2-piperazin-1-yl-N-(1-thiophen-2-ylbutyl)propanamide?
The canonical SMILES for 2-methyl-2-piperazin-1-yl-N-(1-thiophen-2-ylbutyl)propanamide is CCCC(NC(=O)C(C)(C)N1CCNCC1)c1cccs1.
What is the InChIKey of 2-methyl-2-piperazin-1-yl-N-(1-thiophen-2-ylbutyl)propanamide?
The InChIKey is SGAWYGMMOJZPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-4-6-13(14-7-5-12-21-14)18-15(20)16(2,3)19-10-8-17-9-11-19/h5,7,12-13,17H,4,6,8-11H2,1-3H3,(H,18,20).
What are the key properties of 2-methyl-2-piperazin-1-yl-N-(1-thiophen-2-ylbutyl)propanamide?
2-methyl-2-piperazin-1-yl-N-(1-thiophen-2-ylbutyl)propanamide has a molecular weight of 309.48 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-yl-N-(1-thiophen-2-ylbutyl)propanamide is sourced from PubChem (CID 80547520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).