[6-bromo-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone

C21H28BrN3O3 — CID 67017918

IUPAC[6-bromo-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone
SMILESCC(C)N1CCC(Oc2cc3cc(C(=O)N4CCOCC4)[nH]c3cc2Br)CC1
InChIInChI=1S/C21H28BrN3O3/c1-14(2)24-5-3-16(4-6-24)28-20-12-15-11-19(23-18(15)13-17(20)22)21(26)25-7-9-27-10-8-25/h11-14,16,23H,3-10H2,1-2H3
InChIKeyFYFQRCAXFUXALW-UHFFFAOYSA-N
MW450.38 g/mol
LogP3.65
Rot. Bonds4

About [6-bromo-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone

[6-bromo-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone (PubChem CID 67017918) has the molecular formula C21H28BrN3O3 and a molecular weight of 450.38 g/mol. Its IUPAC name is [6-bromo-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-bromo-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone
PubChem CID67017918
Molecular FormulaC21H28BrN3O3
Molecular Weight450.38 g/mol
Exact Mass449.13
IUPAC Name[6-bromo-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone
SMILESCC(C)N1CCC(Oc2cc3cc(C(=O)N4CCOCC4)[nH]c3cc2Br)CC1
InChIInChI=1S/C21H28BrN3O3/c1-14(2)24-5-3-16(4-6-24)28-20-12-15-11-19(23-18(15)13-17(20)22)21(26)25-7-9-27-10-8-25/h11-14,16,23H,3-10H2,1-2H3
InChIKeyFYFQRCAXFUXALW-UHFFFAOYSA-N
XLogP3.65
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-bromo-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 68564105
morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 16727359
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 69284738
(E)-2-[6-bromo-5-(1-propan-2-ylazepan-4-yl)oxy-1H-indole-2-carbonyl]-3-(dimethylamino)prop-2-enenitrile
CID 134449322
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69283170
1-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carbonyl]piperidine-4-carboxamide
CID 69283945
azepan-1-yl-[6-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69282604
[2-(4-methoxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68683427
2-[6-fluoro-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carbonyl]prop-2-enenitrile
CID 134448516
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929
(6-ethoxy-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 47265248

Frequently Asked Questions

What is the IUPAC name of [6-bromo-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-bromo-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone (CID 67017918) is [6-bromo-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-bromo-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-bromo-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone is CC(C)N1CCC(Oc2cc3cc(C(=O)N4CCOCC4)[nH]c3cc2Br)CC1.
What is the InChIKey of [6-bromo-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone?
The InChIKey is FYFQRCAXFUXALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28BrN3O3/c1-14(2)24-5-3-16(4-6-24)28-20-12-15-11-19(23-18(15)13-17(20)22)21(26)25-7-9-27-10-8-25/h11-14,16,23H,3-10H2,1-2H3.
What are the key properties of [6-bromo-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone?
[6-bromo-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone has a molecular weight of 450.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 67017918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).