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

C16H24N2OS — CID 3525907

IUPACN-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESCCN1CCCC(NC(=O)c2scc3c2CCCC3)C1
InChIInChI=1S/C16H24N2OS/c1-2-18-9-5-7-13(10-18)17-16(19)15-14-8-4-3-6-12(14)11-20-15/h11,13H,2-10H2,1H3,(H,17,19)
InChIKeyRHIXRBZSWUWWFN-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.84
Rot. Bonds3

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

N-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (PubChem CID 3525907) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
PubChem CID3525907
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESCCN1CCCC(NC(=O)c2scc3c2CCCC3)C1
InChIInChI=1S/C16H24N2OS/c1-2-18-9-5-7-13(10-18)17-16(19)15-14-8-4-3-6-12(14)11-20-15/h11,13H,2-10H2,1H3,(H,17,19)
InChIKeyRHIXRBZSWUWWFN-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (CID 3525907) is N-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is CCN1CCCC(NC(=O)c2scc3c2CCCC3)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The InChIKey is RHIXRBZSWUWWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-18-9-5-7-13(10-18)17-16(19)15-14-8-4-3-6-12(14)11-20-15/h11,13H,2-10H2,1H3,(H,17,19).
What are the key properties of N-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
N-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is sourced from PubChem (CID 3525907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).