[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone

C20H20F2N4O2 — CID 126952735

IUPAC[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(Oc2cccc3c2ccn3CC(F)F)CC1
InChIInChI=1S/C20H20F2N4O2/c21-19(22)13-26-11-6-15-17(26)2-1-3-18(15)28-14-4-9-25(10-5-14)20(27)16-12-23-7-8-24-16/h1-3,6-8,11-12,14,19H,4-5,9-10,13H2
InChIKeyPZJGQBLDCYHHKW-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.38
Rot. Bonds5

About [4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone

[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 126952735) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is [4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID126952735
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(Oc2cccc3c2ccn3CC(F)F)CC1
InChIInChI=1S/C20H20F2N4O2/c21-19(22)13-26-11-6-15-17(26)2-1-3-18(15)28-14-4-9-25(10-5-14)20(27)16-12-23-7-8-24-16/h1-3,6-8,11-12,14,19H,4-5,9-10,13H2
InChIKeyPZJGQBLDCYHHKW-UHFFFAOYSA-N
XLogP3.38
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126952728
[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95811364
1-(2,2-difluoroethyl)-4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]oxyindole
CID 126952788
2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953341
[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126952327
4-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]oxy-1-(2,2-difluoroethyl)indole
CID 126952819
[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 126952338
5-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]pyrazine-2-carbonitrile
CID 126952930
(5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone
CID 126952507
5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126952873
1-(2,2-difluoroethyl)-4-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)piperidin-4-yl]oxyindole
CID 126952840
4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 126952881

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone (CID 126952735) is [4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC(Oc2cccc3c2ccn3CC(F)F)CC1.
What is the InChIKey of [4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is PZJGQBLDCYHHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c21-19(22)13-26-11-6-15-17(26)2-1-3-18(15)28-14-4-9-25(10-5-14)20(27)16-12-23-7-8-24-16/h1-3,6-8,11-12,14,19H,4-5,9-10,13H2.
What are the key properties of [4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 386.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 126952735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).