2-[(4-fluorophenyl)methoxy]-N-[2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]ethyl]acetamide

C26H30FN3O3 — CID 11952791

IUPAC2-[(4-fluorophenyl)methoxy]-N-[2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]ethyl]acetamide
SMILESO=C(COCc1ccc(F)cc1)NCCC1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C26H30FN3O3/c27-22-7-5-20(6-8-22)17-33-18-25(31)28-12-9-19-10-13-30(14-11-19)26(32)15-21-16-29-24-4-2-1-3-23(21)24/h1-8,16,19,29H,9-15,17-18H2,(H,28,31)
InChIKeyYOPVFSGQXZHGJA-UHFFFAOYSA-N
MW451.54 g/mol
LogP3.81
Rot. Bonds9

About 2-[(4-fluorophenyl)methoxy]-N-[2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]ethyl]acetamide

2-[(4-fluorophenyl)methoxy]-N-[2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]ethyl]acetamide (PubChem CID 11952791) has the molecular formula C26H30FN3O3 and a molecular weight of 451.54 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-[2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-[2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]ethyl]acetamide
PubChem CID11952791
Molecular FormulaC26H30FN3O3
Molecular Weight451.54 g/mol
Exact Mass451.23
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-[2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]ethyl]acetamide
SMILESO=C(COCc1ccc(F)cc1)NCCC1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C26H30FN3O3/c27-22-7-5-20(6-8-22)17-33-18-25(31)28-12-9-19-10-13-30(14-11-19)26(32)15-21-16-29-24-4-2-1-3-23(21)24/h1-8,16,19,29H,9-15,17-18H2,(H,28,31)
InChIKeyYOPVFSGQXZHGJA-UHFFFAOYSA-N
XLogP3.81
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-fluorophenyl)methoxy]-N-[2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]ethyl]acetamide with MolForge

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Related Compounds

ethane;2-[(4-fluorophenyl)methoxy]acetaldehyde;N-[2-(1H-indol-3-yl)ethyl]-4-[2-(methylamino)ethyl]piperidine-1-carboxamide;methyl formate
CID 143299279
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
3-[4-[[2-[[4-fluoro-3-[2-(1H-indol-3-yl)ethyl]phenyl]methoxy]acetyl]amino]butyl]azetidine-1-carboxamide
CID 69387065
4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
CID 69384138
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110085536
4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 69461979
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109000531
1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95726890
1-(4-aminoazepan-1-yl)-2-(1H-indol-3-yl)ethanone
CID 56912314
N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 51078734

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]ethyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]ethyl]acetamide (CID 11952791) is 2-[(4-fluorophenyl)methoxy]-N-[2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-[2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]ethyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-[2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]ethyl]acetamide is O=C(COCc1ccc(F)cc1)NCCC1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-[2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]ethyl]acetamide?
The InChIKey is YOPVFSGQXZHGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O3/c27-22-7-5-20(6-8-22)17-33-18-25(31)28-12-9-19-10-13-30(14-11-19)26(32)15-21-16-29-24-4-2-1-3-23(21)24/h1-8,16,19,29H,9-15,17-18H2,(H,28,31).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-[2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]ethyl]acetamide?
2-[(4-fluorophenyl)methoxy]-N-[2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]ethyl]acetamide has a molecular weight of 451.54 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-[2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 11952791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).