N-piperidin-3-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride

C14H19ClN2OS — CID 119426947

IUPACN-piperidin-3-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)C1Cc2ccccc2S1
InChIInChI=1S/C14H18N2OS.ClH/c17-14(16-11-5-3-7-15-9-11)13-8-10-4-1-2-6-12(10)18-13;/h1-2,4,6,11,13,15H,3,5,7-9H2,(H,16,17);1H
InChIKeyJUDATCMHPNCLOB-UHFFFAOYSA-N
MW298.84 g/mol
LogP1.99
Rot. Bonds2

About N-piperidin-3-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride

N-piperidin-3-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 119426947) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is N-piperidin-3-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-3-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID119426947
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC NameN-piperidin-3-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)C1Cc2ccccc2S1
InChIInChI=1S/C14H18N2OS.ClH/c17-14(16-11-5-3-7-15-9-11)13-8-10-4-1-2-6-12(10)18-13;/h1-2,4,6,11,13,15H,3,5,7-9H2,(H,16,17);1H
InChIKeyJUDATCMHPNCLOB-UHFFFAOYSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-3-yl-2,3-dihydro-1H-indene-2-carboxamide
CID 112531038
N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119536021
N-piperidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126396
N-(azepan-3-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211900
N-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 115323700
N-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119443019
N-piperidin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119426712
N-[(3R)-piperidin-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 104645593
N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217959
N-piperidin-3-yl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119427896
N-piperidin-3-ylbenzamide
CID 22017045
N-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66397068

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-piperidin-3-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride (CID 119426947) is N-piperidin-3-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-piperidin-3-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-piperidin-3-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride is Cl.O=C(NC1CCCNC1)C1Cc2ccccc2S1.
What is the InChIKey of N-piperidin-3-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is JUDATCMHPNCLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS.ClH/c17-14(16-11-5-3-7-15-9-11)13-8-10-4-1-2-6-12(10)18-13;/h1-2,4,6,11,13,15H,3,5,7-9H2,(H,16,17);1H.
What are the key properties of N-piperidin-3-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
N-piperidin-3-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 298.84 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119426947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).