N-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C24H26F3N3O3 — CID 55585994

IUPACN-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C24H26F3N3O3/c1-15(19-4-3-5-21(14-19)29-16(2)31)28-22(32)17-10-12-30(13-11-17)23(33)18-6-8-20(9-7-18)24(25,26)27/h3-9,14-15,17H,10-13H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyICYKKEZFKQPGSC-UHFFFAOYSA-N
MW461.48 g/mol
LogP4.39
Rot. Bonds5

About N-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

N-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 55585994) has the molecular formula C24H26F3N3O3 and a molecular weight of 461.48 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID55585994
Molecular FormulaC24H26F3N3O3
Molecular Weight461.48 g/mol
Exact Mass461.19
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C24H26F3N3O3/c1-15(19-4-3-5-21(14-19)29-16(2)31)28-22(32)17-10-12-30(13-11-17)23(33)18-6-8-20(9-7-18)24(25,26)27/h3-9,14-15,17H,10-13H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyICYKKEZFKQPGSC-UHFFFAOYSA-N
XLogP4.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-propan-2-ylphenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 43055424
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941
N-(3-methylbutan-2-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46689590
N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
CID 46580283
N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide
CID 51944566
N-[3-(diethylcarbamoyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26079950
1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 46597648
N-pyridin-4-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41373176
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083
1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 9293494
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
N-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55652632

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 55585994) is N-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is CC(=O)Nc1cccc(C(C)NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is ICYKKEZFKQPGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O3/c1-15(19-4-3-5-21(14-19)29-16(2)31)28-22(32)17-10-12-30(13-11-17)23(33)18-6-8-20(9-7-18)24(25,26)27/h3-9,14-15,17H,10-13H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
N-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 461.48 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55585994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).