N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride

C12H18Cl2N2OS — CID 119296186

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccc(Cl)s1)C1CCCCN1
InChIInChI=1S/C12H17ClN2OS.ClH/c13-11-5-4-9(17-11)6-8-15-12(16)10-3-1-2-7-14-10;/h4-5,10,14H,1-3,6-8H2,(H,15,16);1H
InChIKeyIHFXKQBKMJORIM-UHFFFAOYSA-N
MW309.26 g/mol
LogP2.62
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride

N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119296186) has the molecular formula C12H18Cl2N2OS and a molecular weight of 309.26 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119296186
Molecular FormulaC12H18Cl2N2OS
Molecular Weight309.26 g/mol
Exact Mass308.05
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccc(Cl)s1)C1CCCCN1
InChIInChI=1S/C12H17ClN2OS.ClH/c13-11-5-4-9(17-11)6-8-15-12(16)10-3-1-2-7-14-10;/h4-5,10,14H,1-3,6-8H2,(H,15,16);1H
InChIKeyIHFXKQBKMJORIM-UHFFFAOYSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119735842
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
cis-(1S,2R)-2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106032549
(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide
CID 106047918
N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 61276083
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 104931777
cis-(1S,3R)-3-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114138901
4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 103869402
N-(2-naphthalen-1-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119288851
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
N-[2-(2,6-dimethylphenyl)ethyl]piperidine-2-carboxamide
CID 119326210
N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119312582

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride (CID 119296186) is N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride is Cl.O=C(NCCc1ccc(Cl)s1)C1CCCCN1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is IHFXKQBKMJORIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS.ClH/c13-11-5-4-9(17-11)6-8-15-12(16)10-3-1-2-7-14-10;/h4-5,10,14H,1-3,6-8H2,(H,15,16);1H.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride?
N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 309.26 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119296186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).