N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C23H29F3N2O3S — CID 124737786

IUPACN-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H29F3N2O3S/c24-23(25,26)19-6-1-2-7-21(19)32(30,31)28-10-8-14(9-11-28)22(29)27-20-13-15-12-18(20)17-5-3-4-16(15)17/h1-2,6-7,14-18,20H,3-5,8-13H2,(H,27,29)/t15-,16+,17-,18+,20-/m1/s1
InChIKeyQGKSRJVIAXYZBL-IHEQNBGGSA-N
MW470.56 g/mol
LogP4.05
Rot. Bonds4

About N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 124737786) has the molecular formula C23H29F3N2O3S and a molecular weight of 470.56 g/mol. Its IUPAC name is N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID124737786
Molecular FormulaC23H29F3N2O3S
Molecular Weight470.56 g/mol
Exact Mass470.19
IUPAC NameN-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H29F3N2O3S/c24-23(25,26)19-6-1-2-7-21(19)32(30,31)28-10-8-14(9-11-28)22(29)27-20-13-15-12-18(20)17-5-3-4-16(15)17/h1-2,6-7,14-18,20H,3-5,8-13H2,(H,27,29)/t15-,16+,17-,18+,20-/m1/s1
InChIKeyQGKSRJVIAXYZBL-IHEQNBGGSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-[2-(cyclohexanecarbonylamino)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55806126
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 2487327
N-(2-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 46665454
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
CID 60956912
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394304
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24573050
N-(2,6-diethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26880378
N-(3-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 24638911
N-(2-ethylphenyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26208452
N-[(2-methylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 27839070
N-(3-phenylprop-2-ynyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 17459265
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 4844092

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 124737786) is N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is QGKSRJVIAXYZBL-IHEQNBGGSA-N. The full InChI is InChI=1S/C23H29F3N2O3S/c24-23(25,26)19-6-1-2-7-21(19)32(30,31)28-10-8-14(9-11-28)22(29)27-20-13-15-12-18(20)17-5-3-4-16(15)17/h1-2,6-7,14-18,20H,3-5,8-13H2,(H,27,29)/t15-,16+,17-,18+,20-/m1/s1.
What are the key properties of N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 124737786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).