(3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone

C19H19BrN2O3 — CID 108533598

IUPAC(3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C19H19BrN2O3/c1-25-17-8-3-2-7-16(17)19(24)22-11-9-21(10-12-22)18(23)14-5-4-6-15(20)13-14/h2-8,13H,9-12H2,1H3
InChIKeyMDRFGHWWPWCHMP-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.06
Rot. Bonds3

About (3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone

(3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone (PubChem CID 108533598) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is (3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
PubChem CID108533598
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC Name(3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C19H19BrN2O3/c1-25-17-8-3-2-7-16(17)19(24)22-11-9-21(10-12-22)18(23)14-5-4-6-15(20)13-14/h2-8,13H,9-12H2,1H3
InChIKeyMDRFGHWWPWCHMP-UHFFFAOYSA-N
XLogP3.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromophenyl)-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544504
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 110818196
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027
(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088
(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 32770368
(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 46546142
(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
(3-bromophenyl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293154
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
(3-bromophenyl)-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]methanone
CID 29139468
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 60776283
(3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55748861

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone (CID 108533598) is (3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of (3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is MDRFGHWWPWCHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c1-25-17-8-3-2-7-16(17)19(24)22-11-9-21(10-12-22)18(23)14-5-4-6-15(20)13-14/h2-8,13H,9-12H2,1H3.
What are the key properties of (3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone?
(3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone has a molecular weight of 403.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 108533598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).