3-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide

C23H29FN2O4 — CID 23723266

IUPAC3-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(OC2CCN(Cc3ccc(F)cc3OC)CC2)c1
InChIInChI=1S/C23H29FN2O4/c1-28-13-10-25-23(27)17-4-3-5-21(14-17)30-20-8-11-26(12-9-20)16-18-6-7-19(24)15-22(18)29-2/h3-7,14-15,20H,8-13,16H2,1-2H3,(H,25,27)
InChIKeyAQGJCARKTNUWGL-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.25
Rot. Bonds9

About 3-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide

3-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide (PubChem CID 23723266) has the molecular formula C23H29FN2O4 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
PubChem CID23723266
Molecular FormulaC23H29FN2O4
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name3-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(OC2CCN(Cc3ccc(F)cc3OC)CC2)c1
InChIInChI=1S/C23H29FN2O4/c1-28-13-10-25-23(27)17-4-3-5-21(14-17)30-20-8-11-26(12-9-20)16-18-6-7-19(24)15-22(18)29-2/h3-7,14-15,20H,8-13,16H2,1-2H3,(H,25,27)
InChIKeyAQGJCARKTNUWGL-UHFFFAOYSA-N
XLogP3.25
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Flecainide
CID 3356
Itopride
CID 3792
Ebalzotan
CID 9797080
3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone
CID 9948349
RO 116 1148
CID 44391713
R-(-)-Flecainide
CID 6603850
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
1-[4-(2,3-Dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 1072048
(S)-2-(4-Diisopropylcarbamoyl-2-isopropoxy-benzoylamino)-4-methyl-pentanoic acid methyl ester
CID 11316476
2-{[4-Fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218486
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
5-Fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218495

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide (CID 23723266) is 3-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(OC2CCN(Cc3ccc(F)cc3OC)CC2)c1.
What is the InChIKey of 3-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
The InChIKey is AQGJCARKTNUWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O4/c1-28-13-10-25-23(27)17-4-3-5-21(14-17)30-20-8-11-26(12-9-20)16-18-6-7-19(24)15-22(18)29-2/h3-7,14-15,20H,8-13,16H2,1-2H3,(H,25,27).
What are the key properties of 3-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
3-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide has a molecular weight of 416.49 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 23723266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).