6-methyl-N-(2-piperidin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C17H26N2OS — CID 119558506

IUPAC6-methyl-N-(2-piperidin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1CCc2c(C(=O)NCCC3CCCNC3)csc2C1
InChIInChI=1S/C17H26N2OS/c1-12-4-5-14-15(11-21-16(14)9-12)17(20)19-8-6-13-3-2-7-18-10-13/h11-13,18H,2-10H2,1H3,(H,19,20)
InChIKeyWDEWKUUAWIZEJX-UHFFFAOYSA-N
MW306.47 g/mol
LogP2.99
Rot. Bonds4

About 6-methyl-N-(2-piperidin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-methyl-N-(2-piperidin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 119558506) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 6-methyl-N-(2-piperidin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-piperidin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID119558506
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name6-methyl-N-(2-piperidin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1CCc2c(C(=O)NCCC3CCCNC3)csc2C1
InChIInChI=1S/C17H26N2OS/c1-12-4-5-14-15(11-21-16(14)9-12)17(20)19-8-6-13-3-2-7-18-10-13/h11-13,18H,2-10H2,1H3,(H,19,20)
InChIKeyWDEWKUUAWIZEJX-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-methyl-N-(2-piperidin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

N-(2-amino-2-methylpropyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119629587
2-methyl-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]propanoic acid
CID 62676927
N-[(3-hydroxycyclopentyl)methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 103280717
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4280057
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
N-(4-hydroxy-2-methylpentyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 111447060
N-(4-hydroxycyclohexyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43389642
(6R)-6-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 95129993
3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 80641488
N-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 79194597
(6S)-6-methyl-N-[2-(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 98749497

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-piperidin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-methyl-N-(2-piperidin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 119558506) is 6-methyl-N-(2-piperidin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-piperidin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-methyl-N-(2-piperidin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CC1CCc2c(C(=O)NCCC3CCCNC3)csc2C1.
What is the InChIKey of 6-methyl-N-(2-piperidin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is WDEWKUUAWIZEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-12-4-5-14-15(11-21-16(14)9-12)17(20)19-8-6-13-3-2-7-18-10-13/h11-13,18H,2-10H2,1H3,(H,19,20).
What are the key properties of 6-methyl-N-(2-piperidin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
6-methyl-N-(2-piperidin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 306.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-piperidin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 119558506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).