N-(2-ethoxyphenyl)-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide

C21H24FN3O3 — CID 4988196

IUPACN-(2-ethoxyphenyl)-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H24FN3O3/c1-2-28-19-9-4-3-8-18(19)24-21(27)25-12-10-17(11-13-25)23-20(26)15-6-5-7-16(22)14-15/h3-9,14,17H,2,10-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyYYIKJBLWYRMUAG-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.65
Rot. Bonds5

About N-(2-ethoxyphenyl)-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide

N-(2-ethoxyphenyl)-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide (PubChem CID 4988196) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide
PubChem CID4988196
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN-(2-ethoxyphenyl)-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C21H24FN3O3/c1-2-28-19-9-4-3-8-18(19)24-21(27)25-12-10-17(11-13-25)23-20(26)15-6-5-7-16(22)14-15/h3-9,14,17H,2,10-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyYYIKJBLWYRMUAG-UHFFFAOYSA-N
XLogP3.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 24792468
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide
CID 108557500
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108557453
N-benzyl-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide
CID 24792699
4-[(4-ethoxybenzoyl)amino]-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 3218431
N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 17099525
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555351
4-benzamido-N-(2,3-difluorophenyl)piperidine-1-carboxamide
CID 86856267
N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
CID 110823002
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108562648
tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 53255515
(3S)-N-(2-ethoxy-4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431407

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide (CID 4988196) is N-(2-ethoxyphenyl)-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCC(NC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide?
The InChIKey is YYIKJBLWYRMUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-2-28-19-9-4-3-8-18(19)24-21(27)25-12-10-17(11-13-25)23-20(26)15-6-5-7-16(22)14-15/h3-9,14,17H,2,10-13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(2-ethoxyphenyl)-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide?
N-(2-ethoxyphenyl)-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 4988196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).