(2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide

C22H20F3N3O2 — CID 166586079

IUPAC(2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide
SMILESO=C1CCC[C@@H](C(=O)NCCc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)N1
InChIInChI=1S/C22H20F3N3O2/c23-13-6-4-12(5-7-13)20-15(16-10-14(24)11-17(25)21(16)28-20)8-9-26-22(30)18-2-1-3-19(29)27-18/h4-7,10-11,18,28H,1-3,8-9H2,(H,26,30)(H,27,29)/t18-/m0/s1
InChIKeyLGAFJGXOGQKDDC-SFHVURJKSA-N
MW415.42 g/mol
LogP3.58
Rot. Bonds5

About (2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide

(2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide (PubChem CID 166586079) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is (2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide
PubChem CID166586079
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name(2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide
SMILESO=C1CCC[C@@H](C(=O)NCCc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)N1
InChIInChI=1S/C22H20F3N3O2/c23-13-6-4-12(5-7-13)20-15(16-10-14(24)11-17(25)21(16)28-20)8-9-26-22(30)18-2-1-3-19(29)27-18/h4-7,10-11,18,28H,1-3,8-9H2,(H,26,30)(H,27,29)/t18-/m0/s1
InChIKeyLGAFJGXOGQKDDC-SFHVURJKSA-N
XLogP3.58
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide with MolForge

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Related Compounds

N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide
CID 166585688
N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-hydroxyacetamide
CID 166585643
N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-1-fluorocyclobutane-1-carboxamide
CID 166585625
1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea
CID 166585966
4-[[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethylamino]-hydroxymethyl]piperidine-2,6-dione
CID 166885889
1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 166586116
N'-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylbutanediamide
CID 166586096
N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylfuran-3-carboxamide
CID 166586083
1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethylcarbamoyloxymethyl]cyclopropane-1-carboxylic acid
CID 166585668
N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 166586073
3-(cyclobutylmethyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole
CID 156815770
3-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopentane-1-carboxylic acid
CID 175447345

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide (CID 166586079) is (2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide is O=C1CCC[C@@H](C(=O)NCCc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)N1.
What is the InChIKey of (2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide?
The InChIKey is LGAFJGXOGQKDDC-SFHVURJKSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c23-13-6-4-12(5-7-13)20-15(16-10-14(24)11-17(25)21(16)28-20)8-9-26-22(30)18-2-1-3-19(29)27-18/h4-7,10-11,18,28H,1-3,8-9H2,(H,26,30)(H,27,29)/t18-/m0/s1.
What are the key properties of (2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide?
(2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide has a molecular weight of 415.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 166586079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).