N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide

C23H26FN3O3 — CID 55782726

IUPACN-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C23H26FN3O3/c1-3-25-21(28)17-7-6-15(2)20(13-17)26-22(29)18-5-4-12-27(14-18)23(30)16-8-10-19(24)11-9-16/h6-11,13,18H,3-5,12,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyJRXBFEJHSDPWCT-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.37
Rot. Bonds5

About N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide

N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 55782726) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID55782726
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC NameN-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C23H26FN3O3/c1-3-25-21(28)17-7-6-15(2)20(13-17)26-22(29)18-5-4-12-27(14-18)23(30)16-8-10-19(24)11-9-16/h6-11,13,18H,3-5,12,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyJRXBFEJHSDPWCT-UHFFFAOYSA-N
XLogP3.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 42925906
(3R)-1-N,1-N-diethyl-3-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 51956169
1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 24534971
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78854856
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 24535038
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide (CID 55782726) is N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide is CCNC(=O)c1ccc(C)c(NC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)c1.
What is the InChIKey of N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is JRXBFEJHSDPWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-3-25-21(28)17-7-6-15(2)20(13-17)26-22(29)18-5-4-12-27(14-18)23(30)16-8-10-19(24)11-9-16/h6-11,13,18H,3-5,12,14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethylcarbamoyl)-2-methylphenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55782726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).