[4-(5-bromo-2-propan-2-yloxybenzoyl)piperazin-1-yl]-(5-bromo-2-propan-2-yloxyphenyl)methanone

C24H28Br2N2O4 — CID 17052202

IUPAC[4-(5-bromo-2-propan-2-yloxybenzoyl)piperazin-1-yl]-(5-bromo-2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(Br)cc1C(=O)N1CCN(C(=O)c2cc(Br)ccc2OC(C)C)CC1
InChIInChI=1S/C24H28Br2N2O4/c1-15(2)31-21-7-5-17(25)13-19(21)23(29)27-9-11-28(12-10-27)24(30)20-14-18(26)6-8-22(20)32-16(3)4/h5-8,13-16H,9-12H2,1-4H3
InChIKeyIJQBJANTDDBWAV-UHFFFAOYSA-N
MW568.31 g/mol
LogP5.38
Rot. Bonds6

About [4-(5-bromo-2-propan-2-yloxybenzoyl)piperazin-1-yl]-(5-bromo-2-propan-2-yloxyphenyl)methanone

[4-(5-bromo-2-propan-2-yloxybenzoyl)piperazin-1-yl]-(5-bromo-2-propan-2-yloxyphenyl)methanone (PubChem CID 17052202) has the molecular formula C24H28Br2N2O4 and a molecular weight of 568.31 g/mol. Its IUPAC name is [4-(5-bromo-2-propan-2-yloxybenzoyl)piperazin-1-yl]-(5-bromo-2-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[4-(5-bromo-2-propan-2-yloxybenzoyl)piperazin-1-yl]-(5-bromo-2-propan-2-yloxyphenyl)methanone
PubChem CID17052202
Molecular FormulaC24H28Br2N2O4
Molecular Weight568.31 g/mol
Exact Mass566.04
IUPAC Name[4-(5-bromo-2-propan-2-yloxybenzoyl)piperazin-1-yl]-(5-bromo-2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(Br)cc1C(=O)N1CCN(C(=O)c2cc(Br)ccc2OC(C)C)CC1
InChIInChI=1S/C24H28Br2N2O4/c1-15(2)31-21-7-5-17(25)13-19(21)23(29)27-9-11-28(12-10-27)24(30)20-14-18(26)6-8-22(20)32-16(3)4/h5-8,13-16H,9-12H2,1-4H3
InChIKeyIJQBJANTDDBWAV-UHFFFAOYSA-N
XLogP5.38
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.31
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994
5-bromo-2-propan-2-yloxybenzamide
CID 17052192
5-bromo-2-propan-2-yloxy-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17052032
5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide
CID 17205565
(3-aminopyrrolidin-1-yl)-(4-bromo-2-propan-2-yloxyphenyl)methanone
CID 119482640
(5-chloro-2-propan-2-yloxyphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779930
5-bromo-N-(4-methylpiperidine-1-carbothioyl)-2-propan-2-yloxybenzamide
CID 17051970
phenyl 5-bromo-2-propan-2-yloxybenzoate
CID 23013210
(4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone
CID 17174738
4-[(5-bromo-2-propan-2-yloxybenzoyl)amino]benzoic acid
CID 54856038
(4-bromo-2-propan-2-yloxyphenyl)-[(3S)-3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 99777718
[3-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2-propan-2-yloxyphenyl)methanone
CID 119593508

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2-propan-2-yloxybenzoyl)piperazin-1-yl]-(5-bromo-2-propan-2-yloxyphenyl)methanone?
The IUPAC name of [4-(5-bromo-2-propan-2-yloxybenzoyl)piperazin-1-yl]-(5-bromo-2-propan-2-yloxyphenyl)methanone (CID 17052202) is [4-(5-bromo-2-propan-2-yloxybenzoyl)piperazin-1-yl]-(5-bromo-2-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [4-(5-bromo-2-propan-2-yloxybenzoyl)piperazin-1-yl]-(5-bromo-2-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [4-(5-bromo-2-propan-2-yloxybenzoyl)piperazin-1-yl]-(5-bromo-2-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(Br)cc1C(=O)N1CCN(C(=O)c2cc(Br)ccc2OC(C)C)CC1.
What is the InChIKey of [4-(5-bromo-2-propan-2-yloxybenzoyl)piperazin-1-yl]-(5-bromo-2-propan-2-yloxyphenyl)methanone?
The InChIKey is IJQBJANTDDBWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Br2N2O4/c1-15(2)31-21-7-5-17(25)13-19(21)23(29)27-9-11-28(12-10-27)24(30)20-14-18(26)6-8-22(20)32-16(3)4/h5-8,13-16H,9-12H2,1-4H3.
What are the key properties of [4-(5-bromo-2-propan-2-yloxybenzoyl)piperazin-1-yl]-(5-bromo-2-propan-2-yloxyphenyl)methanone?
[4-(5-bromo-2-propan-2-yloxybenzoyl)piperazin-1-yl]-(5-bromo-2-propan-2-yloxyphenyl)methanone has a molecular weight of 568.31 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2-propan-2-yloxybenzoyl)piperazin-1-yl]-(5-bromo-2-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 17052202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).