N-(1-benzylpiperidin-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C23H30N2OS — CID 24980059

IUPACN-(1-benzylpiperidin-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCCC1CCc2sc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2C1
InChIInChI=1S/C23H30N2OS/c1-2-17-8-9-21-19(14-17)15-22(27-21)23(26)24-20-10-12-25(13-11-20)16-18-6-4-3-5-7-18/h3-7,15,17,20H,2,8-14,16H2,1H3,(H,24,26)
InChIKeySJIYBYGJOSWZBE-UHFFFAOYSA-N
MW382.57 g/mol
LogP4.66
Rot. Bonds5

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

N-(1-benzylpiperidin-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 24980059) has the molecular formula C23H30N2OS and a molecular weight of 382.57 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID24980059
Molecular FormulaC23H30N2OS
Molecular Weight382.57 g/mol
Exact Mass382.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCCC1CCc2sc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2C1
InChIInChI=1S/C23H30N2OS/c1-2-17-8-9-21-19(14-17)15-22(27-21)23(26)24-20-10-12-25(13-11-20)16-18-6-4-3-5-7-18/h3-7,15,17,20H,2,8-14,16H2,1H3,(H,24,26)
InChIKeySJIYBYGJOSWZBE-UHFFFAOYSA-N
XLogP4.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzylpiperidin-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-5-phenylthiophene-2-carboxamide
CID 10291446
N-[1-[[(2R)-1-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 23626108
N-[1-[[(2R)-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
CID 44434191
N-[4-[[(1R)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]-1-benzothiophene-2-carboxamide
CID 71734031
N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]-1-benzothiophene-2-carboxamide
CID 71734129
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
(5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6466553
(5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467189
1-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide
CID 24979733
N-(4-methylcyclohexyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide
CID 24979973
N-isopropyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 687094
N-butyl-1-benzothiophene-2-carboxamide
CID 2054449

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 24980059) is N-(1-benzylpiperidin-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CCC1CCc2sc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2C1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is SJIYBYGJOSWZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2OS/c1-2-17-8-9-21-19(14-17)15-22(27-21)23(26)24-20-10-12-25(13-11-20)16-18-6-4-3-5-7-18/h3-7,15,17,20H,2,8-14,16H2,1H3,(H,24,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 382.57 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24980059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).