1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone

C19H26BrN3O5 — CID 24671557

IUPAC1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCOc1cc(Br)c(OC)c(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1
InChIInChI=1S/C19H26BrN3O5/c1-26-14-11-15(18(27-2)16(20)12-14)19(25)23-5-3-22(4-6-23)17(24)13-21-7-9-28-10-8-21/h11-12H,3-10,13H2,1-2H3
InChIKeyONWLITCPCBBMKO-UHFFFAOYSA-N
MW456.34 g/mol
LogP1.08
Rot. Bonds5

About 1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 24671557) has the molecular formula C19H26BrN3O5 and a molecular weight of 456.34 g/mol. Its IUPAC name is 1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID24671557
Molecular FormulaC19H26BrN3O5
Molecular Weight456.34 g/mol
Exact Mass455.11
IUPAC Name1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCOc1cc(Br)c(OC)c(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1
InChIInChI=1S/C19H26BrN3O5/c1-26-14-11-15(18(27-2)16(20)12-14)19(25)23-5-3-22(4-6-23)17(24)13-21-7-9-28-10-8-21/h11-12H,3-10,13H2,1-2H3
InChIKeyONWLITCPCBBMKO-UHFFFAOYSA-N
XLogP1.08
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-bromo-2,5-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 30291282
1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 52612933
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 46548530
2-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442537
(3-bromo-2-methoxy-5-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 50882656
2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 17471888
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 43039682
(3-bromo-5-ethyl-2-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 50882665
(4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone
CID 66800644
(3-bromo-2-methoxy-5-methylphenyl)-pyrrolidin-1-ylmethanone
CID 50883166
1-[4-[4-(difluoromethoxy)-5-methoxy-2-nitrobenzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 24671530
2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 17441973

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone (CID 24671557) is 1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone is COc1cc(Br)c(OC)c(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1.
What is the InChIKey of 1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is ONWLITCPCBBMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN3O5/c1-26-14-11-15(18(27-2)16(20)12-14)19(25)23-5-3-22(4-6-23)17(24)13-21-7-9-28-10-8-21/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 456.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromo-2,5-dimethoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 24671557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).