1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C22H23F3N2O3 — CID 134803034

IUPAC1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)N3CCC(C(=O)NCC(F)(F)F)CC3)cc2)c1
InChIInChI=1S/C22H23F3N2O3/c1-30-19-4-2-3-18(13-19)15-5-7-17(8-6-15)21(29)27-11-9-16(10-12-27)20(28)26-14-22(23,24)25/h2-8,13,16H,9-12,14H2,1H3,(H,26,28)
InChIKeyALBGFNNNSOHQNA-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.89
Rot. Bonds5

About 1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 134803034) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID134803034
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Name1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)N3CCC(C(=O)NCC(F)(F)F)CC3)cc2)c1
InChIInChI=1S/C22H23F3N2O3/c1-30-19-4-2-3-18(13-19)15-5-7-17(8-6-15)21(29)27-11-9-16(10-12-27)20(28)26-14-22(23,24)25/h2-8,13,16H,9-12,14H2,1H3,(H,26,28)
InChIKeyALBGFNNNSOHQNA-UHFFFAOYSA-N
XLogP3.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[1-[4-(3-methoxyphenyl)benzoyl]piperidine-4-carbonyl]amino]acetate
CID 134801658
N-[2-(3-methoxyphenoxy)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46451115
1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 18104565
N-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]benzamide
CID 134801898
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55499022
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
[4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616349
1-[4-(diethylsulfamoyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364113
[(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
CID 97427242
N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide
CID 72853141
1-(2-fluorophenyl)-3-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]urea
CID 134799087
methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008009

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 134803034) is 1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is COc1cccc(-c2ccc(C(=O)N3CCC(C(=O)NCC(F)(F)F)CC3)cc2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is ALBGFNNNSOHQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c1-30-19-4-2-3-18(13-19)15-5-7-17(8-6-15)21(29)27-11-9-16(10-12-27)20(28)26-14-22(23,24)25/h2-8,13,16H,9-12,14H2,1H3,(H,26,28).
What are the key properties of 1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 134803034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).