1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide

C24H29F3N2O4 — CID 71227956

IUPAC1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide
SMILESCC(C)CC(=O)N1CCC(C(=O)Nc2ccccc2OC2=CC=C(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C24H29F3N2O4/c1-16(2)15-22(30)29-13-11-17(12-14-29)23(31)28-20-5-3-4-6-21(20)32-18-7-9-19(10-8-18)33-24(25,26)27/h3-7,9,16-17H,8,10-15H2,1-2H3,(H,28,31)
InChIKeyIULBEAMDTSXAMK-UHFFFAOYSA-N
MW466.50 g/mol
LogP5.39
Rot. Bonds7

About 1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide

1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide (PubChem CID 71227956) has the molecular formula C24H29F3N2O4 and a molecular weight of 466.50 g/mol. Its IUPAC name is 1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide
PubChem CID71227956
Molecular FormulaC24H29F3N2O4
Molecular Weight466.50 g/mol
Exact Mass466.21
IUPAC Name1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide
SMILESCC(C)CC(=O)N1CCC(C(=O)Nc2ccccc2OC2=CC=C(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C24H29F3N2O4/c1-16(2)15-22(30)29-13-11-17(12-14-29)23(31)28-20-5-3-4-6-21(20)32-18-7-9-19(10-8-18)33-24(25,26)27/h3-7,9,16-17H,8,10-15H2,1-2H3,(H,28,31)
InChIKeyIULBEAMDTSXAMK-UHFFFAOYSA-N
XLogP5.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.50
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007533
N-[2-(2,4-dichlorophenoxy)phenyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 15951868
N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007102
tert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 15952444
1-(3,3-diphenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646196
N-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
CID 38644491
1-[2-(2-methylphenyl)acetyl]-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007639
1-(2-methylpropanoyl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 31821899
N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007591
1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008357
1-(furan-3-carbonyl)-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 35750813
N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113006871

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide (CID 71227956) is 1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide is CC(C)CC(=O)N1CCC(C(=O)Nc2ccccc2OC2=CC=C(OC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide?
The InChIKey is IULBEAMDTSXAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O4/c1-16(2)15-22(30)29-13-11-17(12-14-29)23(31)28-20-5-3-4-6-21(20)32-18-7-9-19(10-8-18)33-24(25,26)27/h3-7,9,16-17H,8,10-15H2,1-2H3,(H,28,31).
What are the key properties of 1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide?
1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide has a molecular weight of 466.50 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutanoyl)-N-[2-[4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]oxyphenyl]piperidine-4-carboxamide is sourced from PubChem (CID 71227956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).