N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride

C18H20ClF3N2O2S — CID 119441884

IUPACN-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)C1CCNCC1.Cl
InChIInChI=1S/C18H19F3N2O2S.ClH/c1-23(13-8-10-22-11-9-13)17(24)16-7-6-15(26-16)12-2-4-14(5-3-12)25-18(19,20)21;/h2-7,13,22H,8-11H2,1H3;1H
InChIKeyKGKBGTOEOQAEST-UHFFFAOYSA-N
MW420.88 g/mol
LogP4.56
Rot. Bonds4

About N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride

N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119441884) has the molecular formula C18H20ClF3N2O2S and a molecular weight of 420.88 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119441884
Molecular FormulaC18H20ClF3N2O2S
Molecular Weight420.88 g/mol
Exact Mass420.09
IUPAC NameN-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)C1CCNCC1.Cl
InChIInChI=1S/C18H19F3N2O2S.ClH/c1-23(13-8-10-22-11-9-13)17(24)16-7-6-15(26-16)12-2-4-14(5-3-12)25-18(19,20)21;/h2-7,13,22H,8-11H2,1H3;1H
InChIKeyKGKBGTOEOQAEST-UHFFFAOYSA-N
XLogP4.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiophene derivative, 3f
CID 25023799
(6-Phenyl-hexyl)-carbamic acid 3-(3-carbamoyl-5-methyl-thiophen-2-yl)-phenyl ester
CID 46916520
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CID 3153715
N-Ethyl-4-[(3-methoxy-phenyl)-(8-thiophen-2-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
CID 44306787
N-((S)-1-((R)-3-(4,4-dimethylcyclohexylamino)pyrrolidine-1-carbonyl)pyrrolidin-3-yl)-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 44416671
N-[2-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2146379
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24818172
2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
CID 24982054
4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 3649035
trans-4-((4-(4-(Trifluoromethoxy)phenyl)thiophene-2-carboxamido)methyl)cyclohexanecarboxylic acid
CID 10387791
(R)-3-(5-fluoro-4-(4-(trifluoromethoxy)phenyl)thiophene-2-carboxamido)-3-phenylpropanoic acid
CID 11305534
(R)-Phenyl-{[4-(4-trifluoromethoxy-phenyl)-thiophene-2-carbonyl]-amino}-acetic acid
CID 11327633

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride (CID 119441884) is N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride is CN(C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is KGKBGTOEOQAEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2S.ClH/c1-23(13-8-10-22-11-9-13)17(24)16-7-6-15(26-16)12-2-4-14(5-3-12)25-18(19,20)21;/h2-7,13,22H,8-11H2,1H3;1H.
What are the key properties of N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride?
N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 420.88 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119441884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).