N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidine-3-carboxamide

C24H25F3N2O3S — CID 171904133

IUPACN-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidine-3-carboxamide
SMILESO=C1NC(SCc2cccc(C(F)(F)F)c2)CCC1C(=O)NC1CCCc2c(O)cccc21
InChIInChI=1S/C24H25F3N2O3S/c25-24(26,27)15-5-1-4-14(12-15)13-33-21-11-10-18(23(32)29-21)22(31)28-19-8-2-7-17-16(19)6-3-9-20(17)30/h1,3-6,9,12,18-19,21,30H,2,7-8,10-11,13H2,(H,28,31)(H,29,32)
InChIKeySOOKEHYZFQACLO-UHFFFAOYSA-N
MW478.54 g/mol
LogP4.69
Rot. Bonds5

About N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidine-3-carboxamide

N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidine-3-carboxamide (PubChem CID 171904133) has the molecular formula C24H25F3N2O3S and a molecular weight of 478.54 g/mol. Its IUPAC name is N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidine-3-carboxamide
PubChem CID171904133
Molecular FormulaC24H25F3N2O3S
Molecular Weight478.54 g/mol
Exact Mass478.15
IUPAC NameN-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidine-3-carboxamide
SMILESO=C1NC(SCc2cccc(C(F)(F)F)c2)CCC1C(=O)NC1CCCc2c(O)cccc21
InChIInChI=1S/C24H25F3N2O3S/c25-24(26,27)15-5-1-4-14(12-15)13-33-21-11-10-18(23(32)29-21)22(31)28-19-8-2-7-17-16(19)6-3-9-20(17)30/h1,3-6,9,12,18-19,21,30H,2,7-8,10-11,13H2,(H,28,31)(H,29,32)
InChIKeySOOKEHYZFQACLO-UHFFFAOYSA-N
XLogP4.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.54
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904083
N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide
CID 99795360
N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903990
N-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide
CID 99795342
3-hydroxy-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidin-2-one
CID 121493737
4-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 93008783
(3S)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95622347
2-bromo-2,2-difluoro-N-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]azepan-3-yl]acetamide
CID 56643370
2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide
CID 95726046
4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]azepane
CID 115070242
N-cyclohexyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24791142
3-[[3-(trifluoromethyl)phenyl]methylamino]azepan-2-one
CID 43199156

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidine-3-carboxamide (CID 171904133) is N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidine-3-carboxamide is O=C1NC(SCc2cccc(C(F)(F)F)c2)CCC1C(=O)NC1CCCc2c(O)cccc21.
What is the InChIKey of N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidine-3-carboxamide?
The InChIKey is SOOKEHYZFQACLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O3S/c25-24(26,27)15-5-1-4-14(12-15)13-33-21-11-10-18(23(32)29-21)22(31)28-19-8-2-7-17-16(19)6-3-9-20(17)30/h1,3-6,9,12,18-19,21,30H,2,7-8,10-11,13H2,(H,28,31)(H,29,32).
What are the key properties of N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidine-3-carboxamide?
N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidine-3-carboxamide has a molecular weight of 478.54 g/mol, XLogP of 4.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]piperidine-3-carboxamide is sourced from PubChem (CID 171904133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).