[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

C22H22F2N2O3 — CID 55510978

IUPAC[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1OC(F)F
InChIInChI=1S/C22H22F2N2O3/c1-28-19-8-4-6-16(20(19)29-22(23)24)21(27)26-11-9-14(10-12-26)17-13-25-18-7-3-2-5-15(17)18/h2-8,13-14,22,25H,9-12H2,1H3
InChIKeyZFWBFIGUDUHDLI-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.80
Rot. Bonds5

About [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 55510978) has the molecular formula C22H22F2N2O3 and a molecular weight of 400.43 g/mol. Its IUPAC name is [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID55510978
Molecular FormulaC22H22F2N2O3
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Name[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1OC(F)F
InChIInChI=1S/C22H22F2N2O3/c1-28-19-8-4-6-16(20(19)29-22(23)24)21(27)26-11-9-14(10-12-26)17-13-25-18-7-3-2-5-15(17)18/h2-8,13-14,22,25H,9-12H2,1H3
InChIKeyZFWBFIGUDUHDLI-UHFFFAOYSA-N
XLogP4.80
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110711026
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
[(3R)-3-aminopyrrolidin-1-yl]-[2-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride
CID 119413193
[4-[2-(difluoromethoxy)-3-methoxybenzoyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 78848632
1-[4-[2-(difluoromethoxy)-3-methoxybenzoyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55679204
(3R)-1-[2-(difluoromethoxy)-3-methoxybenzoyl]piperidine-3-carboxamide
CID 94870214
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 70686769
[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 24599113
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 5152696
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 24646101
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 24599169

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone (CID 55510978) is [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone is COc1cccc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1OC(F)F.
What is the InChIKey of [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is ZFWBFIGUDUHDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O3/c1-28-19-8-4-6-16(20(19)29-22(23)24)21(27)26-11-9-14(10-12-26)17-13-25-18-7-3-2-5-15(17)18/h2-8,13-14,22,25H,9-12H2,1H3.
What are the key properties of [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 400.43 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 55510978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).