N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide

C22H26FN3O3 — CID 16909487

IUPACN-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H26FN3O3/c1-2-29-20-9-7-19(8-10-20)25-22(28)16-11-13-26(14-12-16)15-21(27)24-18-5-3-17(23)4-6-18/h3-10,16H,2,11-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyHALDZELBOXVCAD-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.51
Rot. Bonds7

About N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide

N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 16909487) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID16909487
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H26FN3O3/c1-2-29-20-9-7-19(8-10-20)25-22(28)16-11-13-26(14-12-16)15-21(27)24-18-5-3-17(23)4-6-18/h3-10,16H,2,11-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyHALDZELBOXVCAD-UHFFFAOYSA-N
XLogP3.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988165
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8995686
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021981
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 16909483
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 166605733
N-[1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434114
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 16909487) is N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide is CCOc1ccc(NC(=O)C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is HALDZELBOXVCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-2-29-20-9-7-19(8-10-20)25-22(28)16-11-13-26(14-12-16)15-21(27)24-18-5-3-17(23)4-6-18/h3-10,16H,2,11-15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide?
N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 16909487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).