N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide

C22H25FN2O3 — CID 108557500

IUPACN-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide
SMILESCCOc1ccc(CC(=O)N2CCC(NC(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C22H25FN2O3/c1-2-28-20-8-6-16(7-9-20)14-21(26)25-12-10-19(11-13-25)24-22(27)17-4-3-5-18(23)15-17/h3-9,15,19H,2,10-14H2,1H3,(H,24,27)
InChIKeyWXOYSLKBWBSUCV-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.19
Rot. Bonds6

About N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide

N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide (PubChem CID 108557500) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide
PubChem CID108557500
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide
SMILESCCOc1ccc(CC(=O)N2CCC(NC(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C22H25FN2O3/c1-2-28-20-8-6-16(7-9-20)14-21(26)25-12-10-19(11-13-25)24-22(27)17-4-3-5-18(23)15-17/h3-9,15,19H,2,10-14H2,1H3,(H,24,27)
InChIKeyWXOYSLKBWBSUCV-UHFFFAOYSA-N
XLogP3.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108553901
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551512
2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108556268
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555920
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]benzamide
CID 33308755
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555615
2,2-dichloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108565559
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108562648
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006
2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108548382
N-(2-ethoxyphenyl)-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide
CID 4988196
ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate
CID 47906774

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide?
The IUPAC name of N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide (CID 108557500) is N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide?
The canonical SMILES for N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide is CCOc1ccc(CC(=O)N2CCC(NC(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide?
The InChIKey is WXOYSLKBWBSUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-2-28-20-8-6-16(7-9-20)14-21(26)25-12-10-19(11-13-25)24-22(27)17-4-3-5-18(23)15-17/h3-9,15,19H,2,10-14H2,1H3,(H,24,27).
What are the key properties of N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide?
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide has a molecular weight of 384.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide is sourced from PubChem (CID 108557500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).