[6-chloro-1-(ethoxymethyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone

C24H26ClFN2O2 — CID 141125366

IUPAC[6-chloro-1-(ethoxymethyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
SMILESCCOCn1ccc2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(Cl)cc21
InChIInChI=1S/C24H26ClFN2O2/c1-2-30-16-28-12-9-19-14-21(22(25)15-23(19)28)24(29)27-10-7-18(8-11-27)13-17-3-5-20(26)6-4-17/h3-6,9,12,14-15,18H,2,7-8,10-11,13,16H2,1H3
InChIKeyURCHQTYAHHKGOY-UHFFFAOYSA-N
MW428.94 g/mol
LogP5.52
Rot. Bonds6

About [6-chloro-1-(ethoxymethyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone

[6-chloro-1-(ethoxymethyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone (PubChem CID 141125366) has the molecular formula C24H26ClFN2O2 and a molecular weight of 428.94 g/mol. Its IUPAC name is [6-chloro-1-(ethoxymethyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-chloro-1-(ethoxymethyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
PubChem CID141125366
Molecular FormulaC24H26ClFN2O2
Molecular Weight428.94 g/mol
Exact Mass428.17
IUPAC Name[6-chloro-1-(ethoxymethyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
SMILESCCOCn1ccc2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(Cl)cc21
InChIInChI=1S/C24H26ClFN2O2/c1-2-30-16-28-12-9-19-14-21(22(25)15-23(19)28)24(29)27-10-7-18(8-11-27)13-17-3-5-20(26)6-4-17/h3-6,9,12,14-15,18H,2,7-8,10-11,13,16H2,1H3
InChIKeyURCHQTYAHHKGOY-UHFFFAOYSA-N
XLogP5.52
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.94
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [6-chloro-1-(ethoxymethyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide
CID 138530050
methyl 2-[6-chloro-3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-1-yl]acetate
CID 20763812
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide
CID 20763791
6-chloro-1H-indole-5-carboxylic acid;(6-chloro-1H-indol-5-yl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-[(4-fluorophenyl)methyl]piperidine
CID 158886868
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propan-2-ylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 10239303
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 71179713
(E)-3-[4-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methylphenyl]-2-methylidenepent-3-enamide;ethane
CID 142871656
6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-N,N-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxamide
CID 11707006
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2,3-dihydro-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide
CID 71167023
(2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55173736
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
N-[4-chloro-3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide
CID 24995162

Frequently Asked Questions

What is the IUPAC name of [6-chloro-1-(ethoxymethyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [6-chloro-1-(ethoxymethyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone (CID 141125366) is [6-chloro-1-(ethoxymethyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [6-chloro-1-(ethoxymethyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [6-chloro-1-(ethoxymethyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone is CCOCn1ccc2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(Cl)cc21.
What is the InChIKey of [6-chloro-1-(ethoxymethyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is URCHQTYAHHKGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN2O2/c1-2-30-16-28-12-9-19-14-21(22(25)15-23(19)28)24(29)27-10-7-18(8-11-27)13-17-3-5-20(26)6-4-17/h3-6,9,12,14-15,18H,2,7-8,10-11,13,16H2,1H3.
What are the key properties of [6-chloro-1-(ethoxymethyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
[6-chloro-1-(ethoxymethyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 428.94 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-1-(ethoxymethyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 141125366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).