1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide

C16H22N2OS — CID 79315166

IUPAC1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC2Cc3ccccc3S2)CC1
InChIInChI=1S/C16H22N2OS/c1-17-16(19)12-6-8-18(9-7-12)11-14-10-13-4-2-3-5-15(13)20-14/h2-5,12,14H,6-11H2,1H3,(H,17,19)
InChIKeyAONLUZCVTXDQGU-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.16
Rot. Bonds3

About 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide (PubChem CID 79315166) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide
PubChem CID79315166
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CC2Cc3ccccc3S2)CC1
InChIInChI=1S/C16H22N2OS/c1-17-16(19)12-6-8-18(9-7-12)11-14-10-13-4-2-3-5-15(13)20-14/h2-5,12,14H,6-11H2,1H3,(H,17,19)
InChIKeyAONLUZCVTXDQGU-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-2-carboxamide
CID 79315103
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol
CID 79227966
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 18545992
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine
CID 79311786
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 79227605
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,4-thiazepane
CID 79315028
3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol
CID 79228477
3-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 79737349
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-(methylamino)-3-oxopropanoic acid
CID 114900228
N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 42542209
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine
CID 79318516

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide (CID 79315166) is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(CC2Cc3ccccc3S2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is AONLUZCVTXDQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-17-16(19)12-6-8-18(9-7-12)11-14-10-13-4-2-3-5-15(13)20-14/h2-5,12,14H,6-11H2,1H3,(H,17,19).
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide?
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 79315166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).