1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide

C22H25F3N3O2+ — CID 9134500

IUPAC1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide
SMILESC[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H24F3N3O2/c1-15(20(29)26-19-9-7-17(8-10-19)22(23,24)25)28-13-11-16(12-14-28)21(30)27-18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,26,29)(H,27,30)/p+1/t15-/m1/s1
InChIKeyQQXIMNSBDSMNGN-OAHLLOKOSA-O
MW420.46 g/mol
LogP2.97
Rot. Bonds5

About 1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide

1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide (PubChem CID 9134500) has the molecular formula C22H25F3N3O2+ and a molecular weight of 420.46 g/mol. Its IUPAC name is 1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide
PubChem CID9134500
Molecular FormulaC22H25F3N3O2+
Molecular Weight420.46 g/mol
Exact Mass420.19
IUPAC Name1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide
SMILESC[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H24F3N3O2/c1-15(20(29)26-19-9-7-17(8-10-19)22(23,24)25)28-13-11-16(12-14-28)21(30)27-18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,26,29)(H,27,30)/p+1/t15-/m1/s1
InChIKeyQQXIMNSBDSMNGN-OAHLLOKOSA-O
XLogP2.97
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide with MolForge

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Related Compounds

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1-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide
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[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate
CID 2511069
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
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(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
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1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
1-(2-ethylbutanoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
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N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide (CID 9134500) is 1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide is C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide?
The InChIKey is QQXIMNSBDSMNGN-OAHLLOKOSA-O. The full InChI is InChI=1S/C22H24F3N3O2/c1-15(20(29)26-19-9-7-17(8-10-19)22(23,24)25)28-13-11-16(12-14-28)21(30)27-18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3,(H,26,29)(H,27,30)/p+1/t15-/m1/s1.
What are the key properties of 1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide?
1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide is sourced from PubChem (CID 9134500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).