N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide

C15H20N2OS — CID 79213389

IUPACN-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(NCC1CCCNC1)C1CSc2ccccc21
InChIInChI=1S/C15H20N2OS/c18-15(17-9-11-4-3-7-16-8-11)13-10-19-14-6-2-1-5-12(13)14/h1-2,5-6,11,13,16H,3-4,7-10H2,(H,17,18)
InChIKeyRBCZNVRHHFJTJW-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.99
Rot. Bonds3

About N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide

N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 79213389) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID79213389
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(NCC1CCCNC1)C1CSc2ccccc21
InChIInChI=1S/C15H20N2OS/c18-15(17-9-11-4-3-7-16-8-11)13-10-19-14-6-2-1-5-12(13)14/h1-2,5-6,11,13,16H,3-4,7-10H2,(H,17,18)
InChIKeyRBCZNVRHHFJTJW-UHFFFAOYSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azepan-3-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211900
N-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isothiochromene-1-carboxamide;hydrochloride
CID 119464012
N-[(1-hydroxycycloheptyl)methyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993929
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
N-prop-2-ynyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993620
N-(2-cyclopropyl-2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211894
N-(3-piperazin-1-ylpropyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213825
N-(4-hydroxybutyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 106843262
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396103
N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937
N-(3-aminopropyl)-2,3-dihydro-1-benzothiophene-3-carboxamide;hydrochloride
CID 119407943

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 79213389) is N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is O=C(NCC1CCCNC1)C1CSc2ccccc21.
What is the InChIKey of N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is RBCZNVRHHFJTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c18-15(17-9-11-4-3-7-16-8-11)13-10-19-14-6-2-1-5-12(13)14/h1-2,5-6,11,13,16H,3-4,7-10H2,(H,17,18).
What are the key properties of N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 79213389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).