2-methyl-2-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide

C16H25N3OS — CID 80547768

IUPAC2-methyl-2-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
SMILESCC(C)(C(=O)NC1CCCc2sccc21)N1CCNCC1
InChIInChI=1S/C16H25N3OS/c1-16(2,19-9-7-17-8-10-19)15(20)18-13-4-3-5-14-12(13)6-11-21-14/h6,11,13,17H,3-5,7-10H2,1-2H3,(H,18,20)
InChIKeyHZDRSHDUHCJUNA-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.93
Rot. Bonds3

About 2-methyl-2-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide

2-methyl-2-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide (PubChem CID 80547768) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
PubChem CID80547768
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-methyl-2-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
SMILESCC(C)(C(=O)NC1CCCc2sccc21)N1CCNCC1
InChIInChI=1S/C16H25N3OS/c1-16(2,19-9-7-17-8-10-19)15(20)18-13-4-3-5-14-12(13)6-11-21-14/h6,11,13,17H,3-5,7-10H2,1-2H3,(H,18,20)
InChIKeyHZDRSHDUHCJUNA-UHFFFAOYSA-N
XLogP1.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.93
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-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide?
The IUPAC name of 2-methyl-2-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide (CID 80547768) is 2-methyl-2-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide.
What is the SMILES notation for 2-methyl-2-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide?
The canonical SMILES for 2-methyl-2-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide is CC(C)(C(=O)NC1CCCc2sccc21)N1CCNCC1.
What is the InChIKey of 2-methyl-2-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide?
The InChIKey is HZDRSHDUHCJUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-16(2,19-9-7-17-8-10-19)15(20)18-13-4-3-5-14-12(13)6-11-21-14/h6,11,13,17H,3-5,7-10H2,1-2H3,(H,18,20).
What are the key properties of 2-methyl-2-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide?
2-methyl-2-piperazin-1-yl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide has a molecular weight of 307.46 g/mol, XLogP of 1.93, 3 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-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide is sourced from PubChem (CID 80547768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).