(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone

C25H24N2O4 — CID 46546142

IUPAC(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)c1
InChIInChI=1S/C25H24N2O4/c1-30-21-11-7-8-19(18-21)24(28)26-14-16-27(17-15-26)25(29)22-12-5-6-13-23(22)31-20-9-3-2-4-10-20/h2-13,18H,14-17H2,1H3
InChIKeyNDKNKMBUHGTULU-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.09
Rot. Bonds5

About (3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone

(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone (PubChem CID 46546142) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
PubChem CID46546142
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)c1
InChIInChI=1S/C25H24N2O4/c1-30-21-11-7-8-19(18-21)24(28)26-14-16-27(17-15-26)25(29)22-12-5-6-13-23(22)31-20-9-3-2-4-10-20/h2-13,18H,14-17H2,1H3
InChIKeyNDKNKMBUHGTULU-UHFFFAOYSA-N
XLogP4.09
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027
(3-bromophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 108533598
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 110818196
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone
CID 51252114
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
2-methoxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108549181
[4-(4-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 60599091
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone (CID 46546142) is (3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone is COc1cccc(C(=O)N2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is NDKNKMBUHGTULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-30-21-11-7-8-19(18-21)24(28)26-14-16-27(17-15-26)25(29)22-12-5-6-13-23(22)31-20-9-3-2-4-10-20/h2-13,18H,14-17H2,1H3.
What are the key properties of (3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone?
(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone has a molecular weight of 416.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 46546142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).