(3S,4S)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide

C23H27FN4O2 — CID 171461121

IUPAC(3S,4S)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide
SMILESCCNc1cc(F)cc2c1NC(=O)[C@]2(C)N1CC[C@H](c2ccccc2)[C@H](C(N)=O)C1
InChIInChI=1S/C23H27FN4O2/c1-3-26-19-12-15(24)11-18-20(19)27-22(30)23(18,2)28-10-9-16(17(13-28)21(25)29)14-7-5-4-6-8-14/h4-8,11-12,16-17,26H,3,9-10,13H2,1-2H3,(H2,25,29)(H,27,30)/t16-,17-,23-/m1/s1
InChIKeyNUJRFGVIQFFBNJ-SEPYTNNBSA-N
MW410.49 g/mol
LogP3.02
Rot. Bonds5

About (3S,4S)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide

(3S,4S)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide (PubChem CID 171461121) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is (3S,4S)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide
PubChem CID171461121
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name(3S,4S)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide
SMILESCCNc1cc(F)cc2c1NC(=O)[C@]2(C)N1CC[C@H](c2ccccc2)[C@H](C(N)=O)C1
InChIInChI=1S/C23H27FN4O2/c1-3-26-19-12-15(24)11-18-20(19)27-22(30)23(18,2)28-10-9-16(17(13-28)21(25)29)14-7-5-4-6-8-14/h4-8,11-12,16-17,26H,3,9-10,13H2,1-2H3,(H2,25,29)(H,27,30)/t16-,17-,23-/m1/s1
InChIKeyNUJRFGVIQFFBNJ-SEPYTNNBSA-N
XLogP3.02
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-ethyl-3-{4-[4-(4-fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 24854187
N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745
(3R,3'S)-6',7'-difluoro-3',5-dimethylspiro[1H-indole-3,1'-2,3,4,4a,9,9a-hexahydropyrido[3,4-b]indole]-2-one
CID 168280635
2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-oxo-N-(2-oxo-2,3-dihydro-1H-indol-5-yl)-acetamide
CID 9908680
2-[4-(4-Methyl-benzyl)-piperidin-1-yl]-2-oxo-N-(2-oxo-2,3-dihydro-1H-indol-5-yl)-acetamide
CID 10135057
3-{4-[4-(4-Fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 11646336
5-fluoro-3-[4-(4-phenyl-piperazin-1-yl)-butyl]-1,3-dihydro-2H-indol-2-one
CID 24854106
3-Ethyl-5-fluoro-3-{4-[4-(4-fluorophenyl)-piperazine-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 24854183
5-Fluoro-3-{4-[4-(4-fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 24854267
3-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indol-2-one
CID 24854368
racemic trans-N-((S)-1-(4-(6-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)propan-2-yl)-2-phenylcyclopropanecarboxamide
CID 44573191
3-ethyl-3-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]-1H-indol-2-one
CID 54758204

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide (CID 171461121) is (3S,4S)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide is CCNc1cc(F)cc2c1NC(=O)[C@]2(C)N1CC[C@H](c2ccccc2)[C@H](C(N)=O)C1.
What is the InChIKey of (3S,4S)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide?
The InChIKey is NUJRFGVIQFFBNJ-SEPYTNNBSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-3-26-19-12-15(24)11-18-20(19)27-22(30)23(18,2)28-10-9-16(17(13-28)21(25)29)14-7-5-4-6-8-14/h4-8,11-12,16-17,26H,3,9-10,13H2,1-2H3,(H2,25,29)(H,27,30)/t16-,17-,23-/m1/s1.
What are the key properties of (3S,4S)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide?
(3S,4S)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 171461121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).