[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone

C24H22N2O3 — CID 2527095

IUPAC[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C24H22N2O3/c27-22-9-5-4-8-21(22)25-14-16-26(17-15-25)24(29)20-12-10-19(11-13-20)23(28)18-6-2-1-3-7-18/h1-13,27H,14-17H2
InChIKeyUAKUKPUFPLDLEI-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.59
Rot. Bonds4

About [4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone

[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone (PubChem CID 2527095) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is [4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
PubChem CID2527095
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C24H22N2O3/c27-22-9-5-4-8-21(22)25-14-16-26(17-15-25)24(29)20-12-10-19(11-13-20)23(28)18-6-2-1-3-7-18/h1-13,27H,14-17H2
InChIKeyUAKUKPUFPLDLEI-UHFFFAOYSA-N
XLogP3.59
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone (CID 2527095) is [4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1.
What is the InChIKey of [4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone?
The InChIKey is UAKUKPUFPLDLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-22-9-5-4-8-21(22)25-14-16-26(17-15-25)24(29)20-12-10-19(11-13-20)23(28)18-6-2-1-3-7-18/h1-13,27H,14-17H2.
What are the key properties of [4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone?
[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone has a molecular weight of 386.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 2527095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).