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

C16H22N2OS — CID 79315103

IUPAC1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1CC1Cc2ccccc2S1
InChIInChI=1S/C16H22N2OS/c1-17-16(19)14-7-4-5-9-18(14)11-13-10-12-6-2-3-8-15(12)20-13/h2-3,6,8,13-14H,4-5,7,9-11H2,1H3,(H,17,19)
InChIKeyZUNNLQGAQAITNG-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.30
Rot. Bonds3

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

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-2-carboxamide (PubChem CID 79315103) 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-2-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-2-carboxamide
PubChem CID79315103
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1CC1Cc2ccccc2S1
InChIInChI=1S/C16H22N2OS/c1-17-16(19)14-7-4-5-9-18(14)11-13-10-12-6-2-3-8-15(12)20-13/h2-3,6,8,13-14H,4-5,7,9-11H2,1H3,(H,17,19)
InChIKeyZUNNLQGAQAITNG-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 79315166
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine
CID 79318516
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine
CID 79222902
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-pyrrolidin-2-ylpiperidine
CID 79228410
N-methyl-1-(2-oxo-3-phenylpropyl)piperidine-2-carboxamide
CID 62036084
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
N-methyl-1-(4-oxo-4-thiophen-2-ylbutyl)piperidine-2-carboxamide
CID 62037244
N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide
CID 74236742
methyl (2R)-1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidine-2-carboxylate
CID 79835980
1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 62037634
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol
CID 79227966

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-2-carboxamide (CID 79315103) is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1CC1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is ZUNNLQGAQAITNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-17-16(19)14-7-4-5-9-18(14)11-13-10-12-6-2-3-8-15(12)20-13/h2-3,6,8,13-14H,4-5,7,9-11H2,1H3,(H,17,19).
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-2-carboxamide?
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 2.30, 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-2-carboxamide is sourced from PubChem (CID 79315103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).