[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone

C24H24N2O2 — CID 1364876

IUPAC[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C24H24N2O2/c27-24(21-9-3-1-4-10-21)26-16-14-25(15-17-26)19-20-8-7-13-23(18-20)28-22-11-5-2-6-12-22/h1-13,18H,14-17,19H2
InChIKeyHDIJRVYDEWPSBE-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.44
Rot. Bonds5

About [4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone

[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone (PubChem CID 1364876) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is [4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone
PubChem CID1364876
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C24H24N2O2/c27-24(21-9-3-1-4-10-21)26-16-14-25(15-17-26)19-20-8-7-13-23(18-20)28-22-11-5-2-6-12-22/h1-13,18H,14-17,19H2
InChIKeyHDIJRVYDEWPSBE-UHFFFAOYSA-N
XLogP4.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone (CID 1364876) is [4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1.
What is the InChIKey of [4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is HDIJRVYDEWPSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-24(21-9-3-1-4-10-21)26-16-14-25(15-17-26)19-20-8-7-13-23(18-20)28-22-11-5-2-6-12-22/h1-13,18H,14-17,19H2.
What are the key properties of [4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone?
[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 372.47 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 1364876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).