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

C24H29FN4O2 — CID 171461199

IUPACN-[(3R,4R)-1-[7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidin-3-yl]acetamide
SMILESCCNc1cc(F)cc2c1NC(=O)C2(C)N1CC[C@H](c2ccccc2)[C@@H](NC(C)=O)C1
InChIInChI=1S/C24H29FN4O2/c1-4-26-20-13-17(25)12-19-22(20)28-23(31)24(19,3)29-11-10-18(16-8-6-5-7-9-16)21(14-29)27-15(2)30/h5-9,12-13,18,21,26H,4,10-11,14H2,1-3H3,(H,27,30)(H,28,31)/t18-,21+,24?/m1/s1
InChIKeySCZGTIPWVFGWJR-BGNYOVEWSA-N
MW424.52 g/mol
LogP3.42
Rot. Bonds5

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

N-[(3R,4R)-1-[7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidin-3-yl]acetamide (PubChem CID 171461199) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[(3R,4R)-1-[7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-[7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidin-3-yl]acetamide
PubChem CID171461199
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC NameN-[(3R,4R)-1-[7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidin-3-yl]acetamide
SMILESCCNc1cc(F)cc2c1NC(=O)C2(C)N1CC[C@H](c2ccccc2)[C@@H](NC(C)=O)C1
InChIInChI=1S/C24H29FN4O2/c1-4-26-20-13-17(25)12-19-22(20)28-23(31)24(19,3)29-11-10-18(16-8-6-5-7-9-16)21(14-29)27-15(2)30/h5-9,12-13,18,21,26H,4,10-11,14H2,1-3H3,(H,27,30)(H,28,31)/t18-,21+,24?/m1/s1
InChIKeySCZGTIPWVFGWJR-BGNYOVEWSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-[7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidin-3-yl]acetamide?
The IUPAC name of N-[(3R,4R)-1-[7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidin-3-yl]acetamide (CID 171461199) is N-[(3R,4R)-1-[7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4R)-1-[7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,4R)-1-[7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidin-3-yl]acetamide is CCNc1cc(F)cc2c1NC(=O)C2(C)N1CC[C@H](c2ccccc2)[C@@H](NC(C)=O)C1.
What is the InChIKey of N-[(3R,4R)-1-[7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidin-3-yl]acetamide?
The InChIKey is SCZGTIPWVFGWJR-BGNYOVEWSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-4-26-20-13-17(25)12-19-22(20)28-23(31)24(19,3)29-11-10-18(16-8-6-5-7-9-16)21(14-29)27-15(2)30/h5-9,12-13,18,21,26H,4,10-11,14H2,1-3H3,(H,27,30)(H,28,31)/t18-,21+,24?/m1/s1.
What are the key properties of N-[(3R,4R)-1-[7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidin-3-yl]acetamide?
N-[(3R,4R)-1-[7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidin-3-yl]acetamide has a molecular weight of 424.52 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-[7-(ethylamino)-5-fluoro-3-methyl-2-oxo-1H-indol-3-yl]-4-phenylpiperidin-3-yl]acetamide is sourced from PubChem (CID 171461199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).