(3-bromo-4-propan-2-yloxyphenyl)-(4-phenylpiperazin-1-yl)methanone

C20H23BrN2O2 — CID 17175880

IUPAC(3-bromo-4-propan-2-yloxyphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1Br
InChIInChI=1S/C20H23BrN2O2/c1-15(2)25-19-9-8-16(14-18(19)21)20(24)23-12-10-22(11-13-23)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3
InChIKeyKYOPOPRJKIYIIW-UHFFFAOYSA-N
MW403.32 g/mol
LogP4.20
Rot. Bonds4

About (3-bromo-4-propan-2-yloxyphenyl)-(4-phenylpiperazin-1-yl)methanone

(3-bromo-4-propan-2-yloxyphenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 17175880) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is (3-bromo-4-propan-2-yloxyphenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-propan-2-yloxyphenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID17175880
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC Name(3-bromo-4-propan-2-yloxyphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1Br
InChIInChI=1S/C20H23BrN2O2/c1-15(2)25-19-9-8-16(14-18(19)21)20(24)23-12-10-22(11-13-23)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3
InChIKeyKYOPOPRJKIYIIW-UHFFFAOYSA-N
XLogP4.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-bromo-4-(3-methylbutoxy)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 17175873
(3-bromo-4-methoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46522257
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
(4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 18069676
4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109043114
(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 807436
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
1-[4-(3-bromo-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 51218725
2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one
CID 110801450
N-(4-benzhydrylpiperazine-1-carbothioyl)-3-bromo-4-propan-2-yloxybenzamide
CID 17355835
(3-methylphenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077620
1-(3-chloro-4-propan-2-yloxybenzoyl)-4-phenylpiperazine-2-carboxylic acid
CID 69041209

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-propan-2-yloxyphenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (3-bromo-4-propan-2-yloxyphenyl)-(4-phenylpiperazin-1-yl)methanone (CID 17175880) is (3-bromo-4-propan-2-yloxyphenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-bromo-4-propan-2-yloxyphenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (3-bromo-4-propan-2-yloxyphenyl)-(4-phenylpiperazin-1-yl)methanone is CC(C)Oc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1Br.
What is the InChIKey of (3-bromo-4-propan-2-yloxyphenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is KYOPOPRJKIYIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-15(2)25-19-9-8-16(14-18(19)21)20(24)23-12-10-22(11-13-23)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of (3-bromo-4-propan-2-yloxyphenyl)-(4-phenylpiperazin-1-yl)methanone?
(3-bromo-4-propan-2-yloxyphenyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 403.32 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-propan-2-yloxyphenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 17175880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).