3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide

C23H29FN2O2 — CID 55960312

IUPAC3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
SMILESCCOc1ccccc1CCC(=O)NC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H29FN2O2/c1-2-28-22-6-4-3-5-19(22)9-12-23(27)25-21-13-15-26(16-14-21)17-18-7-10-20(24)11-8-18/h3-8,10-11,21H,2,9,12-17H2,1H3,(H,25,27)
InChIKeyQZBSOFHEVMKZAN-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.94
Rot. Bonds8

About 3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide

3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide (PubChem CID 55960312) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
PubChem CID55960312
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
SMILESCCOc1ccccc1CCC(=O)NC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H29FN2O2/c1-2-28-22-6-4-3-5-19(22)9-12-23(27)25-21-13-15-26(16-14-21)17-18-7-10-20(24)11-8-18/h3-8,10-11,21H,2,9,12-17H2,1H3,(H,25,27)
InChIKeyQZBSOFHEVMKZAN-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 78809618
ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 31844266
methyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 86841468
3-(2-ethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
CID 31725859
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549679
2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959801
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 39302579
3-(2-bromophenyl)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55949551
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 55847982
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenoxy)acetamide
CID 8590108

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide (CID 55960312) is 3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide is CCOc1ccccc1CCC(=O)NC1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide?
The InChIKey is QZBSOFHEVMKZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-2-28-22-6-4-3-5-19(22)9-12-23(27)25-21-13-15-26(16-14-21)17-18-7-10-20(24)11-8-18/h3-8,10-11,21H,2,9,12-17H2,1H3,(H,25,27).
What are the key properties of 3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide?
3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide has a molecular weight of 384.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 55960312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).