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

C24H29FN4O2 — CID 171461245

IUPAC(3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-N-methyl-4-phenylpiperidine-3-carboxamide
SMILESCCNc1cc(F)cc2c1NC(=O)[C@]2(C)N1CC[C@@H](c2ccccc2)[C@@H](C(=O)NC)C1
InChIInChI=1S/C24H29FN4O2/c1-4-27-20-13-16(25)12-19-21(20)28-23(31)24(19,2)29-11-10-17(15-8-6-5-7-9-15)18(14-29)22(30)26-3/h5-9,12-13,17-18,27H,4,10-11,14H2,1-3H3,(H,26,30)(H,28,31)/t17-,18-,24+/m0/s1
InChIKeyNHHLSXSGCOLGAU-LLJLJFOGSA-N
MW424.52 g/mol
LogP3.28
Rot. Bonds5

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

(3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-N-methyl-4-phenylpiperidine-3-carboxamide (PubChem CID 171461245) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is (3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-N-methyl-4-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-N-methyl-4-phenylpiperidine-3-carboxamide
PubChem CID171461245
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC Name(3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-N-methyl-4-phenylpiperidine-3-carboxamide
SMILESCCNc1cc(F)cc2c1NC(=O)[C@]2(C)N1CC[C@@H](c2ccccc2)[C@@H](C(=O)NC)C1
InChIInChI=1S/C24H29FN4O2/c1-4-27-20-13-16(25)12-19-21(20)28-23(31)24(19,2)29-11-10-17(15-8-6-5-7-9-15)18(14-29)22(30)26-3/h5-9,12-13,17-18,27H,4,10-11,14H2,1-3H3,(H,26,30)(H,28,31)/t17-,18-,24+/m0/s1
InChIKeyNHHLSXSGCOLGAU-LLJLJFOGSA-N
XLogP3.28
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.28
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]-N-methyl-4-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-N-methyl-4-phenylpiperidine-3-carboxamide (CID 171461245) is (3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-N-methyl-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]-N-methyl-4-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-N-methyl-4-phenylpiperidine-3-carboxamide is CCNc1cc(F)cc2c1NC(=O)[C@]2(C)N1CC[C@@H](c2ccccc2)[C@@H](C(=O)NC)C1.
What is the InChIKey of (3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-N-methyl-4-phenylpiperidine-3-carboxamide?
The InChIKey is NHHLSXSGCOLGAU-LLJLJFOGSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-4-27-20-13-16(25)12-19-21(20)28-23(31)24(19,2)29-11-10-17(15-8-6-5-7-9-15)18(14-29)22(30)26-3/h5-9,12-13,17-18,27H,4,10-11,14H2,1-3H3,(H,26,30)(H,28,31)/t17-,18-,24+/m0/s1.
What are the key properties of (3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-N-methyl-4-phenylpiperidine-3-carboxamide?
(3R,4R)-1-[(3R)-7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-N-methyl-4-phenylpiperidine-3-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 3.28, 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]-N-methyl-4-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 171461245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).