1-[2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]ethanone

C24H31F2N3O3 — CID 11510623

IUPAC1-[2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]ethanone
SMILESCC(=O)n1c(C(=O)N2CCC(F)(F)CC2)cc2cc(OC3CCN(C(C)C)CC3)ccc21
InChIInChI=1S/C24H31F2N3O3/c1-16(2)27-10-6-19(7-11-27)32-20-4-5-21-18(14-20)15-22(29(21)17(3)30)23(31)28-12-8-24(25,26)9-13-28/h4-5,14-16,19H,6-13H2,1-3H3
InChIKeyYQJFPHXEYANWMY-UHFFFAOYSA-N
MW447.53 g/mol
LogP4.42
Rot. Bonds4

About 1-[2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]ethanone

1-[2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]ethanone (PubChem CID 11510623) has the molecular formula C24H31F2N3O3 and a molecular weight of 447.53 g/mol. Its IUPAC name is 1-[2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]ethanone
PubChem CID11510623
Molecular FormulaC24H31F2N3O3
Molecular Weight447.53 g/mol
Exact Mass447.23
IUPAC Name1-[2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]ethanone
SMILESCC(=O)n1c(C(=O)N2CCC(F)(F)CC2)cc2cc(OC3CCN(C(C)C)CC3)ccc21
InChIInChI=1S/C24H31F2N3O3/c1-16(2)27-10-6-19(7-11-27)32-20-4-5-21-18(14-20)15-22(29(21)17(3)30)23(31)28-12-8-24(25,26)9-13-28/h4-5,14-16,19H,6-13H2,1-3H3
InChIKeyYQJFPHXEYANWMY-UHFFFAOYSA-N
XLogP4.42
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]ethanone?
The IUPAC name of 1-[2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]ethanone (CID 11510623) is 1-[2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]ethanone?
The canonical SMILES for 1-[2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]ethanone is CC(=O)n1c(C(=O)N2CCC(F)(F)CC2)cc2cc(OC3CCN(C(C)C)CC3)ccc21.
What is the InChIKey of 1-[2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]ethanone?
The InChIKey is YQJFPHXEYANWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N3O3/c1-16(2)27-10-6-19(7-11-27)32-20-4-5-21-18(14-20)15-22(29(21)17(3)30)23(31)28-12-8-24(25,26)9-13-28/h4-5,14-16,19H,6-13H2,1-3H3.
What are the key properties of 1-[2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]ethanone?
1-[2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]ethanone has a molecular weight of 447.53 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]ethanone is sourced from PubChem (CID 11510623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).