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

C16H24N2OS — CID 4136082

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cc3c(s2)CCCC3)CC1
InChIInChI=1S/C16H24N2OS/c1-17-9-7-13(8-10-17)18(2)16(19)15-11-12-5-3-4-6-14(12)20-15/h11,13H,3-10H2,1-2H3
InChIKeyVFUUXWHPCGLYFR-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.79
Rot. Bonds2

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

N-methyl-N-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 4136082) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID4136082
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cc3c(s2)CCCC3)CC1
InChIInChI=1S/C16H24N2OS/c1-17-9-7-13(8-10-17)18(2)16(19)15-11-12-5-3-4-6-14(12)20-15/h11,13H,3-10H2,1-2H3
InChIKeyVFUUXWHPCGLYFR-UHFFFAOYSA-N
XLogP2.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 4136082) is N-methyl-N-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CN1CCC(N(C)C(=O)c2cc3c(s2)CCCC3)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is VFUUXWHPCGLYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-17-9-7-13(8-10-17)18(2)16(19)15-11-12-5-3-4-6-14(12)20-15/h11,13H,3-10H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-methyl-N-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 4136082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).