(4,4-difluoropiperidin-1-yl)-[1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone

C24H33F2N3O2 — CID 69284377

IUPAC(4,4-difluoropiperidin-1-yl)-[1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone
SMILESCCn1c(C(=O)N2CCC(F)(F)CC2)c(OC2CCN(C(C)C)CC2)c2ccccc21
InChIInChI=1S/C24H33F2N3O2/c1-4-29-20-8-6-5-7-19(20)22(31-18-9-13-27(14-10-18)17(2)3)21(29)23(30)28-15-11-24(25,26)12-16-28/h5-8,17-18H,4,9-16H2,1-3H3
InChIKeyHDCDXYFZAOJYRX-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.78
Rot. Bonds5

About (4,4-difluoropiperidin-1-yl)-[1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone (PubChem CID 69284377) has the molecular formula C24H33F2N3O2 and a molecular weight of 433.54 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone
PubChem CID69284377
Molecular FormulaC24H33F2N3O2
Molecular Weight433.54 g/mol
Exact Mass433.25
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone
SMILESCCn1c(C(=O)N2CCC(F)(F)CC2)c(OC2CCN(C(C)C)CC2)c2ccccc21
InChIInChI=1S/C24H33F2N3O2/c1-4-29-20-8-6-5-7-19(20)22(31-18-9-13-27(14-10-18)17(2)3)21(29)23(30)28-15-11-24(25,26)12-16-28/h5-8,17-18H,4,9-16H2,1-3H3
InChIKeyHDCDXYFZAOJYRX-UHFFFAOYSA-N
XLogP4.78
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.78
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-ethyl-3-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone (CID 69284377) is (4,4-difluoropiperidin-1-yl)-[1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone is CCn1c(C(=O)N2CCC(F)(F)CC2)c(OC2CCN(C(C)C)CC2)c2ccccc21.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone?
The InChIKey is HDCDXYFZAOJYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2N3O2/c1-4-29-20-8-6-5-7-19(20)22(31-18-9-13-27(14-10-18)17(2)3)21(29)23(30)28-15-11-24(25,26)12-16-28/h5-8,17-18H,4,9-16H2,1-3H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone has a molecular weight of 433.54 g/mol, XLogP of 4.78, 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-ethyl-3-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone is sourced from PubChem (CID 69284377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).