(6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone

C20H17BrF2N2O2 — CID 112843506

IUPAC(6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccc(Br)cc2[nH]1)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H17BrF2N2O2/c21-13-2-1-12-9-18(24-17(12)10-13)20(26)25-7-5-15(6-8-25)27-19-4-3-14(22)11-16(19)23/h1-4,9-11,15,24H,5-8H2
InChIKeyLQCVIQFSWIMGKC-UHFFFAOYSA-N
MW435.27 g/mol
LogP4.89
Rot. Bonds3

About (6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone

(6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone (PubChem CID 112843506) has the molecular formula C20H17BrF2N2O2 and a molecular weight of 435.27 g/mol. Its IUPAC name is (6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
PubChem CID112843506
Molecular FormulaC20H17BrF2N2O2
Molecular Weight435.27 g/mol
Exact Mass434.04
IUPAC Name(6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccc(Br)cc2[nH]1)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H17BrF2N2O2/c21-13-2-1-12-9-18(24-17(12)10-13)20(26)25-7-5-15(6-8-25)27-19-4-3-14(22)11-16(19)23/h1-4,9-11,15,24H,5-8H2
InChIKeyLQCVIQFSWIMGKC-UHFFFAOYSA-N
XLogP4.89
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.27
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112836700
(2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 119944781
1-(6-bromo-1H-indole-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 134062050
[1-(4-bromophenyl)pyrazol-4-yl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112836546
2-(4-bromophenoxy)-1-[4-(2,4-difluorophenoxy)piperidin-1-yl]propan-1-one
CID 112836343
1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021805
[4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119296579
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 112836609
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 112836686
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124698879
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-fluorophenoxy)-2-methylpropan-1-one
CID 112836380
(2-anilinophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112843416

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of (6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone (CID 112843506) is (6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone is O=C(c1cc2ccc(Br)cc2[nH]1)N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of (6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone?
The InChIKey is LQCVIQFSWIMGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrF2N2O2/c21-13-2-1-12-9-18(24-17(12)10-13)20(26)25-7-5-15(6-8-25)27-19-4-3-14(22)11-16(19)23/h1-4,9-11,15,24H,5-8H2.
What are the key properties of (6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone?
(6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone has a molecular weight of 435.27 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1H-indol-2-yl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 112843506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).