6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one

C22H29F2N3O2 — CID 126952834

IUPAC6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one
SMILESCN1C(=O)CCCC1CN1CCC(Oc2cccc3c2ccn3CC(F)F)CC1
InChIInChI=1S/C22H29F2N3O2/c1-25-16(4-2-7-22(25)28)14-26-11-8-17(9-12-26)29-20-6-3-5-19-18(20)10-13-27(19)15-21(23)24/h3,5-6,10,13,16-17,21H,2,4,7-9,11-12,14-15H2,1H3
InChIKeyWUQKTELSEGFCGS-UHFFFAOYSA-N
MW405.49 g/mol
LogP3.76
Rot. Bonds6

About 6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one

6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one (PubChem CID 126952834) has the molecular formula C22H29F2N3O2 and a molecular weight of 405.49 g/mol. Its IUPAC name is 6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one
PubChem CID126952834
Molecular FormulaC22H29F2N3O2
Molecular Weight405.49 g/mol
Exact Mass405.22
IUPAC Name6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one
SMILESCN1C(=O)CCCC1CN1CCC(Oc2cccc3c2ccn3CC(F)F)CC1
InChIInChI=1S/C22H29F2N3O2/c1-25-16(4-2-7-22(25)28)14-26-11-8-17(9-12-26)29-20-6-3-5-19-18(20)10-13-27(19)15-21(23)24/h3,5-6,10,13,16-17,21H,2,4,7-9,11-12,14-15H2,1H3
InChIKeyWUQKTELSEGFCGS-UHFFFAOYSA-N
XLogP3.76
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one with MolForge

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Related Compounds

2-[4-[1-[(1-methyl-7-oxoazepan-2-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953459
6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126952728
1-(2,2-difluoroethyl)-4-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)piperidin-4-yl]oxyindole
CID 126952840
2-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 126952869
1-[2-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]ethyl]azepan-2-one
CID 126952666
4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 126952881
[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 126952735
5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126952873
6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
CID 126952953
4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole
CID 126952819
1-[2-[[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 126953078
1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole
CID 126952788

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one?
The IUPAC name of 6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one (CID 126952834) is 6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one.
What is the SMILES notation for 6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one?
The canonical SMILES for 6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one is CN1C(=O)CCCC1CN1CCC(Oc2cccc3c2ccn3CC(F)F)CC1.
What is the InChIKey of 6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one?
The InChIKey is WUQKTELSEGFCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F2N3O2/c1-25-16(4-2-7-22(25)28)14-26-11-8-17(9-12-26)29-20-6-3-5-19-18(20)10-13-27(19)15-21(23)24/h3,5-6,10,13,16-17,21H,2,4,7-9,11-12,14-15H2,1H3.
What are the key properties of 6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one?
6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one has a molecular weight of 405.49 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpiperidin-2-one is sourced from PubChem (CID 126952834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).