[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone

C25H26N2O2 — CID 1361220

IUPAC[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESCOc1cccc(CN2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C25H26N2O2/c1-29-24-9-5-6-20(18-24)19-26-14-16-27(17-15-26)25(28)23-12-10-22(11-13-23)21-7-3-2-4-8-21/h2-13,18H,14-17,19H2,1H3
InChIKeyGOUKHMWBSWKESU-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.32
Rot. Bonds5

About [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone

[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 1361220) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
PubChem CID1361220
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESCOc1cccc(CN2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C25H26N2O2/c1-29-24-9-5-6-20(18-24)19-26-14-16-27(17-15-26)25(28)23-12-10-22(11-13-23)21-7-3-2-4-8-21/h2-13,18H,14-17,19H2,1H3
InChIKeyGOUKHMWBSWKESU-UHFFFAOYSA-N
XLogP4.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone (CID 1361220) is [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone is COc1cccc(CN2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1.
What is the InChIKey of [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is GOUKHMWBSWKESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-29-24-9-5-6-20(18-24)19-26-14-16-27(17-15-26)25(28)23-12-10-22(11-13-23)21-7-3-2-4-8-21/h2-13,18H,14-17,19H2,1H3.
What are the key properties of [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone?
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 386.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 1361220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).