N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride

C12H19ClN2OS — CID 119270431

IUPACN-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1cccs1)C1CCCNC1
InChIInChI=1S/C12H18N2OS.ClH/c15-12(10-3-1-6-13-9-10)14-7-5-11-4-2-8-16-11;/h2,4,8,10,13H,1,3,5-7,9H2,(H,14,15);1H
InChIKeyLDOHUTUQXPMSDJ-UHFFFAOYSA-N
MW274.82 g/mol
LogP1.83
Rot. Bonds4

About N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride

N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119270431) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119270431
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC NameN-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1cccs1)C1CCCNC1
InChIInChI=1S/C12H18N2OS.ClH/c15-12(10-3-1-6-13-9-10)14-7-5-11-4-2-8-16-11;/h2,4,8,10,13H,1,3,5-7,9H2,(H,14,15);1H
InChIKeyLDOHUTUQXPMSDJ-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81123819
(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide
CID 106047918
N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119302304
3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 114278796
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
(3R)-N-(2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 81140487
N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752382
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
N-ethyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119271520
N-[2-(4-hydroxyphenyl)ethyl]piperidine-3-carboxamide
CID 61238567
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 119829137
1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
CID 115177853

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride (CID 119270431) is N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCCc1cccs1)C1CCCNC1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is LDOHUTUQXPMSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS.ClH/c15-12(10-3-1-6-13-9-10)14-7-5-11-4-2-8-16-11;/h2,4,8,10,13H,1,3,5-7,9H2,(H,14,15);1H.
What are the key properties of N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride?
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 274.82 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119270431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).