5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one

C22H24FN3O2 — CID 10293201

IUPAC5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCC(=O)N3CCC(Cc4ccc(F)cc4)CC3)ccc2N1
InChIInChI=1S/C22H24FN3O2/c23-18-3-1-15(2-4-18)11-16-7-9-26(10-8-16)22(28)14-24-19-5-6-20-17(12-19)13-21(27)25-20/h1-6,12,16,24H,7-11,13-14H2,(H,25,27)
InChIKeyXCHIEEKQNRBQAQ-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.21
Rot. Bonds5

About 5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one

5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one (PubChem CID 10293201) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one
PubChem CID10293201
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(NCC(=O)N3CCC(Cc4ccc(F)cc4)CC3)ccc2N1
InChIInChI=1S/C22H24FN3O2/c23-18-3-1-15(2-4-18)11-16-7-9-26(10-8-16)22(28)14-24-19-5-6-20-17(12-19)13-21(27)25-20/h1-6,12,16,24H,7-11,13-14H2,(H,25,27)
InChIKeyXCHIEEKQNRBQAQ-UHFFFAOYSA-N
XLogP3.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one (CID 10293201) is 5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one is O=C1Cc2cc(NCC(=O)N3CCC(Cc4ccc(F)cc4)CC3)ccc2N1.
What is the InChIKey of 5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one?
The InChIKey is XCHIEEKQNRBQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-18-3-1-15(2-4-18)11-16-7-9-26(10-8-16)22(28)14-24-19-5-6-20-17(12-19)13-21(27)25-20/h1-6,12,16,24H,7-11,13-14H2,(H,25,27).
What are the key properties of 5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one?
5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one has a molecular weight of 381.45 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10293201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).