(2R)-N-[3-chloro-4-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]piperidine-2-carboxamide

C23H25ClF3N3O — CID 142536916

IUPAC(2R)-N-[3-chloro-4-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCc3ccc(C(F)(F)F)cc3C2)c(Cl)c1)[C@H]1CCCCN1
InChIInChI=1S/C23H25ClF3N3O/c24-20-12-19(29-22(31)21-3-1-2-9-28-21)7-5-16(20)13-30-10-8-15-4-6-18(23(25,26)27)11-17(15)14-30/h4-7,11-12,21,28H,1-3,8-10,13-14H2,(H,29,31)/t21-/m1/s1
InChIKeyQVLJHBIBPMDFET-OAQYLSRUSA-N
MW451.92 g/mol
LogP5.00
Rot. Bonds4

About (2R)-N-[3-chloro-4-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]piperidine-2-carboxamide

(2R)-N-[3-chloro-4-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]piperidine-2-carboxamide (PubChem CID 142536916) has the molecular formula C23H25ClF3N3O and a molecular weight of 451.92 g/mol. Its IUPAC name is (2R)-N-[3-chloro-4-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-chloro-4-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]piperidine-2-carboxamide
PubChem CID142536916
Molecular FormulaC23H25ClF3N3O
Molecular Weight451.92 g/mol
Exact Mass451.16
IUPAC Name(2R)-N-[3-chloro-4-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCc3ccc(C(F)(F)F)cc3C2)c(Cl)c1)[C@H]1CCCCN1
InChIInChI=1S/C23H25ClF3N3O/c24-20-12-19(29-22(31)21-3-1-2-9-28-21)7-5-16(20)13-30-10-8-15-4-6-18(23(25,26)27)11-17(15)14-30/h4-7,11-12,21,28H,1-3,8-10,13-14H2,(H,29,31)/t21-/m1/s1
InChIKeyQVLJHBIBPMDFET-OAQYLSRUSA-N
XLogP5.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.92
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[3-chloro-4-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]piperidine-2-carboxamide with MolForge

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Related Compounds

N-[3-chloro-4-[[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 142578807
(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119671263
[(2R)-piperidin-2-yl]-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 138057289
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
N-[(2R)-2-acetyl-7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroindol-5-yl]piperidine-2-carboxamide
CID 155657827
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide
CID 119301878
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238
(2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 103808490
(2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide
CID 103808831

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-chloro-4-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-chloro-4-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]piperidine-2-carboxamide (CID 142536916) is (2R)-N-[3-chloro-4-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-chloro-4-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-chloro-4-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]piperidine-2-carboxamide is O=C(Nc1ccc(CN2CCc3ccc(C(F)(F)F)cc3C2)c(Cl)c1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[3-chloro-4-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]piperidine-2-carboxamide?
The InChIKey is QVLJHBIBPMDFET-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25ClF3N3O/c24-20-12-19(29-22(31)21-3-1-2-9-28-21)7-5-16(20)13-30-10-8-15-4-6-18(23(25,26)27)11-17(15)14-30/h4-7,11-12,21,28H,1-3,8-10,13-14H2,(H,29,31)/t21-/m1/s1.
What are the key properties of (2R)-N-[3-chloro-4-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]piperidine-2-carboxamide?
(2R)-N-[3-chloro-4-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]piperidine-2-carboxamide has a molecular weight of 451.92 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-chloro-4-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 142536916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).