(4,4-difluoropiperidin-1-yl)-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone

C25H35F2N3O2 — CID 11619260

IUPAC(4,4-difluoropiperidin-1-yl)-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3C(C)C)CC1
InChIInChI=1S/C25H35F2N3O2/c1-17(2)28-11-7-20(8-12-28)32-21-5-6-22-19(15-21)16-23(30(22)18(3)4)24(31)29-13-9-25(26,27)10-14-29/h5-6,15-18,20H,7-14H2,1-4H3
InChIKeyDXBRVISEKVIIAR-UHFFFAOYSA-N
MW447.57 g/mol
LogP5.35
Rot. Bonds5

About (4,4-difluoropiperidin-1-yl)-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone (PubChem CID 11619260) has the molecular formula C25H35F2N3O2 and a molecular weight of 447.57 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone
PubChem CID11619260
Molecular FormulaC25H35F2N3O2
Molecular Weight447.57 g/mol
Exact Mass447.27
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3C(C)C)CC1
InChIInChI=1S/C25H35F2N3O2/c1-17(2)28-11-7-20(8-12-28)32-21-5-6-22-19(15-21)16-23(30(22)18(3)4)24(31)29-13-9-25(26,27)10-14-29/h5-6,15-18,20H,7-14H2,1-4H3
InChIKeyDXBRVISEKVIIAR-UHFFFAOYSA-N
XLogP5.35
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.57
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone (CID 11619260) is (4,4-difluoropiperidin-1-yl)-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone is CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3C(C)C)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone?
The InChIKey is DXBRVISEKVIIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F2N3O2/c1-17(2)28-11-7-20(8-12-28)32-21-5-6-22-19(15-21)16-23(30(22)18(3)4)24(31)29-13-9-25(26,27)10-14-29/h5-6,15-18,20H,7-14H2,1-4H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone has a molecular weight of 447.57 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone is sourced from PubChem (CID 11619260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).