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

C23H27FN4O2 — CID 171461170

IUPAC(3R,4R)-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+/m0/s1
InChIKeyNUJRFGVIQFFBNJ-HKARXFIJSA-N
MW410.49 g/mol
LogP3.02
Rot. Bonds5

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

(3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide (PubChem CID 171461170) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is (3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide
PubChem CID171461170
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name(3R,4R)-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+/m0/s1
InChIKeyNUJRFGVIQFFBNJ-HKARXFIJSA-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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide (CID 171461170) is (3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R,4R)-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 (3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide?
The InChIKey is NUJRFGVIQFFBNJ-HKARXFIJSA-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+/m0/s1.
What are the key properties of (3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide?
(3R,4R)-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 (3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 171461170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).