6-methyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C18H28N2OS — CID 25236645

IUPAC6-methyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1CCc2c(C(=O)NC3CCN(C(C)C)CC3)csc2C1
InChIInChI=1S/C18H28N2OS/c1-12(2)20-8-6-14(7-9-20)19-18(21)16-11-22-17-10-13(3)4-5-15(16)17/h11-14H,4-10H2,1-3H3,(H,19,21)
InChIKeyOOGPQWXGFUUJLV-UHFFFAOYSA-N
MW320.50 g/mol
LogP3.48
Rot. Bonds3

About 6-methyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-methyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 25236645) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is 6-methyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID25236645
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC Name6-methyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1CCc2c(C(=O)NC3CCN(C(C)C)CC3)csc2C1
InChIInChI=1S/C18H28N2OS/c1-12(2)20-8-6-14(7-9-20)19-18(21)16-11-22-17-10-13(3)4-5-15(16)17/h11-14H,4-10H2,1-3H3,(H,19,21)
InChIKeyOOGPQWXGFUUJLV-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-methyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 25236645) is 6-methyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-methyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CC1CCc2c(C(=O)NC3CCN(C(C)C)CC3)csc2C1.
What is the InChIKey of 6-methyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is OOGPQWXGFUUJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS/c1-12(2)20-8-6-14(7-9-20)19-18(21)16-11-22-17-10-13(3)4-5-15(16)17/h11-14H,4-10H2,1-3H3,(H,19,21).
What are the key properties of 6-methyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
6-methyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 320.50 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-propan-2-ylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 25236645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).