[7-(difluoromethyl)-1-(2-methoxyethyl)indol-3-yl]-piperidin-1-ylmethanone

C18H22F2N2O2 — CID 141303525

IUPAC[7-(difluoromethyl)-1-(2-methoxyethyl)indol-3-yl]-piperidin-1-ylmethanone
SMILESCOCCn1cc(C(=O)N2CCCCC2)c2cccc(C(F)F)c21
InChIInChI=1S/C18H22F2N2O2/c1-24-11-10-22-12-15(18(23)21-8-3-2-4-9-21)13-6-5-7-14(16(13)22)17(19)20/h5-7,12,17H,2-4,8-11H2,1H3
InChIKeyYFFAVTICPIHSHG-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.85
Rot. Bonds5

About [7-(difluoromethyl)-1-(2-methoxyethyl)indol-3-yl]-piperidin-1-ylmethanone

[7-(difluoromethyl)-1-(2-methoxyethyl)indol-3-yl]-piperidin-1-ylmethanone (PubChem CID 141303525) has the molecular formula C18H22F2N2O2 and a molecular weight of 336.38 g/mol. Its IUPAC name is [7-(difluoromethyl)-1-(2-methoxyethyl)indol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[7-(difluoromethyl)-1-(2-methoxyethyl)indol-3-yl]-piperidin-1-ylmethanone
PubChem CID141303525
Molecular FormulaC18H22F2N2O2
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name[7-(difluoromethyl)-1-(2-methoxyethyl)indol-3-yl]-piperidin-1-ylmethanone
SMILESCOCCn1cc(C(=O)N2CCCCC2)c2cccc(C(F)F)c21
InChIInChI=1S/C18H22F2N2O2/c1-24-11-10-22-12-15(18(23)21-8-3-2-4-9-21)13-6-5-7-14(16(13)22)17(19)20/h5-7,12,17H,2-4,8-11H2,1H3
InChIKeyYFFAVTICPIHSHG-UHFFFAOYSA-N
XLogP3.85
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methoxyethyl)indole-3-carbonyl]pyrrolidine-3-carboxamide
CID 56819723
1-(2-methoxyethyl)-7-(trifluoromethyl)indole-3-carboxylic acid
CID 67256244
7-cyclobutyl-1-(2-methoxyethyl)indole-3-carboxylic acid
CID 67255798
2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone
CID 86671580
[4-[5-(aminomethyl)-2-chlorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]methanone;hydrochloride
CID 162316904
1-(2-methoxyethyl)-4-(morpholine-4-carbonyl)indole-3-carboxylic acid
CID 67256324
[7-chloro-1-(cyclohexylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 69490579
2-(2-methoxyethyl)-4-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]isoquinolin-1-one
CID 71964720
[4-[5-(aminomethyl)-2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-[1-(2-methoxyethyl)-7-methylindol-3-yl]methanone;hydrochloride
CID 162313067
(2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 58290282
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
[5-(hydroxyamino)-1-(2-methoxyethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 89110023

Frequently Asked Questions

What is the IUPAC name of [7-(difluoromethyl)-1-(2-methoxyethyl)indol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [7-(difluoromethyl)-1-(2-methoxyethyl)indol-3-yl]-piperidin-1-ylmethanone (CID 141303525) is [7-(difluoromethyl)-1-(2-methoxyethyl)indol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [7-(difluoromethyl)-1-(2-methoxyethyl)indol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [7-(difluoromethyl)-1-(2-methoxyethyl)indol-3-yl]-piperidin-1-ylmethanone is COCCn1cc(C(=O)N2CCCCC2)c2cccc(C(F)F)c21.
What is the InChIKey of [7-(difluoromethyl)-1-(2-methoxyethyl)indol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is YFFAVTICPIHSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O2/c1-24-11-10-22-12-15(18(23)21-8-3-2-4-9-21)13-6-5-7-14(16(13)22)17(19)20/h5-7,12,17H,2-4,8-11H2,1H3.
What are the key properties of [7-(difluoromethyl)-1-(2-methoxyethyl)indol-3-yl]-piperidin-1-ylmethanone?
[7-(difluoromethyl)-1-(2-methoxyethyl)indol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 336.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(difluoromethyl)-1-(2-methoxyethyl)indol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 141303525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).