4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide

C23H29FN2O4 — CID 55959016

IUPAC4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CCN(Cc3ccc(OC)c(F)c3)CC2)cc1OC
InChIInChI=1S/C23H29FN2O4/c1-4-30-21-8-6-17(14-22(21)29-3)23(27)25-18-9-11-26(12-10-18)15-16-5-7-20(28-2)19(24)13-16/h5-8,13-14,18H,4,9-12,15H2,1-3H3,(H,25,27)
InChIKeyTUQPLSDKNJHBRB-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.64
Rot. Bonds8

About 4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide

4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide (PubChem CID 55959016) has the molecular formula C23H29FN2O4 and a molecular weight of 416.49 g/mol. Its IUPAC name is 4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
PubChem CID55959016
Molecular FormulaC23H29FN2O4
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CCN(Cc3ccc(OC)c(F)c3)CC2)cc1OC
InChIInChI=1S/C23H29FN2O4/c1-4-30-21-8-6-17(14-22(21)29-3)23(27)25-18-9-11-26(12-10-18)15-16-5-7-20(28-2)19(24)13-16/h5-8,13-14,18H,4,9-12,15H2,1-3H3,(H,25,27)
InChIKeyTUQPLSDKNJHBRB-UHFFFAOYSA-N
XLogP3.64
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 55837219
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 8590242
4-(dimethylamino)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55957357
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55959144
3-ethyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55958523
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-(5-methylpyrazol-1-yl)benzamide
CID 55957745
4-acetyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 55909424
5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55959163
2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 56561297
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,3-dimethylbenzamide
CID 55957612
5-ethyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide
CID 55957736
3-(dimethylsulfamoyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4,5-dimethylbenzamide
CID 55957487

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of 4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide (CID 55959016) is 4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for 4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for 4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide is CCOc1ccc(C(=O)NC2CCN(Cc3ccc(OC)c(F)c3)CC2)cc1OC.
What is the InChIKey of 4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is TUQPLSDKNJHBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O4/c1-4-30-21-8-6-17(14-22(21)29-3)23(27)25-18-9-11-26(12-10-18)15-16-5-7-20(28-2)19(24)13-16/h5-8,13-14,18H,4,9-12,15H2,1-3H3,(H,25,27).
What are the key properties of 4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide?
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 416.49 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 55959016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).