(4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone

C22H30F2N4O — CID 11538675

IUPAC(4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone
SMILESCC(C)N1CCC(Nc2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1
InChIInChI=1S/C22H30F2N4O/c1-15(2)27-9-5-17(6-10-27)25-18-3-4-19-16(13-18)14-20(26-19)21(29)28-11-7-22(23,24)8-12-28/h3-4,13-15,17,25-26H,5-12H2,1-2H3
InChIKeyLXBSUZSBZMWCDQ-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.32
Rot. Bonds4

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

(4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone (PubChem CID 11538675) has the molecular formula C22H30F2N4O and a molecular weight of 404.51 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone
PubChem CID11538675
Molecular FormulaC22H30F2N4O
Molecular Weight404.51 g/mol
Exact Mass404.24
IUPAC Name(4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone
SMILESCC(C)N1CCC(Nc2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1
InChIInChI=1S/C22H30F2N4O/c1-15(2)27-9-5-17(6-10-27)25-18-3-4-19-16(13-18)14-20(26-19)21(29)28-11-7-22(23,24)8-12-28/h3-4,13-15,17,25-26H,5-12H2,1-2H3
InChIKeyLXBSUZSBZMWCDQ-UHFFFAOYSA-N
XLogP4.32
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone (CID 11538675) is (4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone is CC(C)N1CCC(Nc2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone?
The InChIKey is LXBSUZSBZMWCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2N4O/c1-15(2)27-9-5-17(6-10-27)25-18-3-4-19-16(13-18)14-20(26-19)21(29)28-11-7-22(23,24)8-12-28/h3-4,13-15,17,25-26H,5-12H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone has a molecular weight of 404.51 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone is sourced from PubChem (CID 11538675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).