(3R)-3-(5-fluoro-2-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C21H20F4N2O3 — CID 42191325

IUPAC(3R)-3-(5-fluoro-2-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCOc1ccc(F)cc1C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C21H20F4N2O3/c1-30-18-9-8-14(22)11-15(18)19(28)13-5-4-10-27(12-13)20(29)26-17-7-3-2-6-16(17)21(23,24)25/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,26,29)/t13-/m1/s1
InChIKeyDNPAWSUFJXJNDQ-CYBMUJFWSA-N
MW424.39 g/mol
LogP4.98
Rot. Bonds4

About (3R)-3-(5-fluoro-2-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

(3R)-3-(5-fluoro-2-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 42191325) has the molecular formula C21H20F4N2O3 and a molecular weight of 424.39 g/mol. Its IUPAC name is (3R)-3-(5-fluoro-2-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(5-fluoro-2-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID42191325
Molecular FormulaC21H20F4N2O3
Molecular Weight424.39 g/mol
Exact Mass424.14
IUPAC Name(3R)-3-(5-fluoro-2-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCOc1ccc(F)cc1C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C21H20F4N2O3/c1-30-18-9-8-14(22)11-15(18)19(28)13-5-4-10-27(12-13)20(29)26-17-7-3-2-6-16(17)21(23,24)25/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,26,29)/t13-/m1/s1
InChIKeyDNPAWSUFJXJNDQ-CYBMUJFWSA-N
XLogP4.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 24791060
(3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 51687287
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
3-(2-methoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide
CID 45228536
methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78915679
(3R)-N-(1,3-benzodioxol-5-yl)-3-(2-methoxybenzoyl)piperidine-1-carboxamide
CID 42567311
methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate
CID 42394704
2-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]benzonitrile
CID 95550185
(3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
CID 25297991
ethyl 4-[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]piperidine-1-carboxylate
CID 25457872
tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
CID 122200687
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-fluoro-2-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(5-fluoro-2-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 42191325) is (3R)-3-(5-fluoro-2-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(5-fluoro-2-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(5-fluoro-2-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is COc1ccc(F)cc1C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1.
What is the InChIKey of (3R)-3-(5-fluoro-2-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is DNPAWSUFJXJNDQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H20F4N2O3/c1-30-18-9-8-14(22)11-15(18)19(28)13-5-4-10-27(12-13)20(29)26-17-7-3-2-6-16(17)21(23,24)25/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,26,29)/t13-/m1/s1.
What are the key properties of (3R)-3-(5-fluoro-2-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
(3R)-3-(5-fluoro-2-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 424.39 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-fluoro-2-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 42191325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).