3-ethoxy-N-[(4-fluorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

C23H27FN2O4 — CID 8007578

IUPAC3-ethoxy-N-[(4-fluorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCOc1cc(C(=O)NCc2ccc(F)cc2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C23H27FN2O4/c1-2-29-21-14-18(23(28)25-15-17-6-9-19(24)10-7-17)8-11-20(21)30-16-22(27)26-12-4-3-5-13-26/h6-11,14H,2-5,12-13,15-16H2,1H3,(H,25,28)
InChIKeyGLOISPGFFDNOAE-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.55
Rot. Bonds8

About 3-ethoxy-N-[(4-fluorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

3-ethoxy-N-[(4-fluorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (PubChem CID 8007578) has the molecular formula C23H27FN2O4 and a molecular weight of 414.48 g/mol. Its IUPAC name is 3-ethoxy-N-[(4-fluorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[(4-fluorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
PubChem CID8007578
Molecular FormulaC23H27FN2O4
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC Name3-ethoxy-N-[(4-fluorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCOc1cc(C(=O)NCc2ccc(F)cc2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C23H27FN2O4/c1-2-29-21-14-18(23(28)25-15-17-6-9-19(24)10-7-17)8-11-20(21)30-16-22(27)26-12-4-3-5-13-26/h6-11,14H,2-5,12-13,15-16H2,1H3,(H,25,28)
InChIKeyGLOISPGFFDNOAE-UHFFFAOYSA-N
XLogP3.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(3s,4s)-4-({[4-Methoxy-3-(3-Methoxypropoxy)benzoyl](Propan-2-Yl)amino}methyl)pyrrolidin-3-Yl Benzylcarbamate
CID 59271992
N-(2-phenylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 9116001
N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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CID 718621

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(4-fluorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-[(4-fluorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (CID 8007578) is 3-ethoxy-N-[(4-fluorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-[(4-fluorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-[(4-fluorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is CCOc1cc(C(=O)NCc2ccc(F)cc2)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 3-ethoxy-N-[(4-fluorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The InChIKey is GLOISPGFFDNOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4/c1-2-29-21-14-18(23(28)25-15-17-6-9-19(24)10-7-17)8-11-20(21)30-16-22(27)26-12-4-3-5-13-26/h6-11,14H,2-5,12-13,15-16H2,1H3,(H,25,28).
What are the key properties of 3-ethoxy-N-[(4-fluorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
3-ethoxy-N-[(4-fluorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide has a molecular weight of 414.48 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(4-fluorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 8007578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).