1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]-N-methylpiperidine-4-carboxamide

C23H25ClFN3O2 — CID 19065936

IUPAC1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CCOc2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C23H25ClFN3O2/c1-26-23(29)16-8-10-27(11-9-16)12-13-30-22-15-28(19-5-3-18(25)4-6-19)21-7-2-17(24)14-20(21)22/h2-7,14-16H,8-13H2,1H3,(H,26,29)
InChIKeyYRTJYJLQFVDTCK-UHFFFAOYSA-N
MW429.92 g/mol
LogP4.26
Rot. Bonds6

About 1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]-N-methylpiperidine-4-carboxamide

1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 19065936) has the molecular formula C23H25ClFN3O2 and a molecular weight of 429.92 g/mol. Its IUPAC name is 1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]-N-methylpiperidine-4-carboxamide
PubChem CID19065936
Molecular FormulaC23H25ClFN3O2
Molecular Weight429.92 g/mol
Exact Mass429.16
IUPAC Name1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(CCOc2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C23H25ClFN3O2/c1-26-23(29)16-8-10-27(11-9-16)12-13-30-22-15-28(19-5-3-18(25)4-6-19)21-7-2-17(24)14-20(21)22/h2-7,14-16H,8-13H2,1H3,(H,26,29)
InChIKeyYRTJYJLQFVDTCK-UHFFFAOYSA-N
XLogP4.26
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.92
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-({2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-methyl-amino)-ethyl]-imidazolidin-2-one
CID 9802796
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[2-(1H-indol-4-yloxy)ethylamino]methyl]piperidin-1-yl]methanone
CID 132247301
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propanamide
CID 121318124
8-Chloro-10-methoxy-1,2,3,4-tetrahydro-pyrazino[1,2-a]indole
CID 10105553
5-Chloro-1-(4-fluoro-phenyl)-3-(2-piperidin-1-yl-ethoxy)-1H-indole
CID 10499570
1-[2-({2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-ethyl-amino)-ethyl]-imidazolidin-2-one
CID 10503470
{2-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-dimethyl-amine
CID 10544602
1-[2-({2-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-methyl-amino)-ethyl]-imidazolidin-2-one
CID 10550615
1-[2-({2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-prop-2-ynyl-amino)-ethyl]-imidazolidin-2-one
CID 10551704
{2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-dimethyl-amine
CID 10592734
5-Chloro-1-(4-fluoro-phenyl)-3-(2-morpholin-4-yl-ethoxy)-1H-indole
CID 10595604
N-(4-Chlorophenyl)-2-[[4-quinolinyl]oxy]propanamide
CID 44219888

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]-N-methylpiperidine-4-carboxamide (CID 19065936) is 1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(CCOc2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1.
What is the InChIKey of 1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is YRTJYJLQFVDTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O2/c1-26-23(29)16-8-10-27(11-9-16)12-13-30-22-15-28(19-5-3-18(25)4-6-19)21-7-2-17(24)14-20(21)22/h2-7,14-16H,8-13H2,1H3,(H,26,29).
What are the key properties of 1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]-N-methylpiperidine-4-carboxamide?
1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 429.92 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 19065936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).