N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride

C16H21ClN2OS — CID 119296481

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1csc2ccccc12)C1CCNCC1
InChIInChI=1S/C16H20N2OS.ClH/c19-16(12-5-8-17-9-6-12)18-10-7-13-11-20-15-4-2-1-3-14(13)15;/h1-4,11-12,17H,5-10H2,(H,18,19);1H
InChIKeyKABIGTWNLOBPOU-UHFFFAOYSA-N
MW324.88 g/mol
LogP2.98
Rot. Bonds4

About N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride

N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119296481) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119296481
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1csc2ccccc12)C1CCNCC1
InChIInChI=1S/C16H20N2OS.ClH/c19-16(12-5-8-17-9-6-12)18-10-7-13-11-20-15-4-2-1-3-14(13)15;/h1-4,11-12,17H,5-10H2,(H,18,19);1H
InChIKeyKABIGTWNLOBPOU-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide
CID 87005605
N-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296484
N-[2-(1-benzothiophen-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 87005642
N-[(2R)-1-(acetamidomethylamino)-3-(1-benzothiophen-3-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 143400483
1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea
CID 112831578
N-[2-(1-benzothiophen-3-yl)ethyl]adamantane-1-carboxamide
CID 112836999
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 119266960
N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide
CID 87005596
1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296493
N-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 138992300
N-[2-(1-benzothiophen-3-yl)ethyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 112837126

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride (CID 119296481) is N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(NCCc1csc2ccccc12)C1CCNCC1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is KABIGTWNLOBPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS.ClH/c19-16(12-5-8-17-9-6-12)18-10-7-13-11-20-15-4-2-1-3-14(13)15;/h1-4,11-12,17H,5-10H2,(H,18,19);1H.
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride?
N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 324.88 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119296481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).