(4-anilinophenyl)-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone

C25H24N2O3 — CID 162653853

IUPAC(4-anilinophenyl)-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Nc2ccccc2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C25H24N2O3/c28-23-8-4-5-20(17-23)25(30)27-15-13-19(14-16-27)24(29)18-9-11-22(12-10-18)26-21-6-2-1-3-7-21/h1-12,17,19,26,28H,13-16H2
InChIKeyQTIYOLXVWKCNBT-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.87
Rot. Bonds5

About (4-anilinophenyl)-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone

(4-anilinophenyl)-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone (PubChem CID 162653853) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is (4-anilinophenyl)-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-anilinophenyl)-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone
PubChem CID162653853
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name(4-anilinophenyl)-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Nc2ccccc2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C25H24N2O3/c28-23-8-4-5-20(17-23)25(30)27-15-13-19(14-16-27)24(29)18-9-11-22(12-10-18)26-21-6-2-1-3-7-21/h1-12,17,19,26,28H,13-16H2
InChIKeyQTIYOLXVWKCNBT-UHFFFAOYSA-N
XLogP4.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-anilinophenyl)-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (4-anilinophenyl)-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone (CID 162653853) is (4-anilinophenyl)-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-anilinophenyl)-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-anilinophenyl)-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone is O=C(c1ccc(Nc2ccccc2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of (4-anilinophenyl)-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone?
The InChIKey is QTIYOLXVWKCNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c28-23-8-4-5-20(17-23)25(30)27-15-13-19(14-16-27)24(29)18-9-11-22(12-10-18)26-21-6-2-1-3-7-21/h1-12,17,19,26,28H,13-16H2.
What are the key properties of (4-anilinophenyl)-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone?
(4-anilinophenyl)-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone has a molecular weight of 400.48 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilinophenyl)-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 162653853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).