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

C27H24N4O3 — CID 162666458

IUPAC[1-(3-hydroxybenzoyl)piperidin-4-yl]-[4-(1-phenyltriazol-4-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2cn(-c3ccccc3)nn2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C27H24N4O3/c32-24-8-4-5-22(17-24)27(34)30-15-13-21(14-16-30)26(33)20-11-9-19(10-12-20)25-18-31(29-28-25)23-6-2-1-3-7-23/h1-12,17-18,21,32H,13-16H2
InChIKeyHQAWVROPXXJXAB-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.38
Rot. Bonds5

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

[1-(3-hydroxybenzoyl)piperidin-4-yl]-[4-(1-phenyltriazol-4-yl)phenyl]methanone (PubChem CID 162666458) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is [1-(3-hydroxybenzoyl)piperidin-4-yl]-[4-(1-phenyltriazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[1-(3-hydroxybenzoyl)piperidin-4-yl]-[4-(1-phenyltriazol-4-yl)phenyl]methanone
PubChem CID162666458
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC Name[1-(3-hydroxybenzoyl)piperidin-4-yl]-[4-(1-phenyltriazol-4-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2cn(-c3ccccc3)nn2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C27H24N4O3/c32-24-8-4-5-22(17-24)27(34)30-15-13-21(14-16-30)26(33)20-11-9-19(10-12-20)25-18-31(29-28-25)23-6-2-1-3-7-23/h1-12,17-18,21,32H,13-16H2
InChIKeyHQAWVROPXXJXAB-UHFFFAOYSA-N
XLogP4.38
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(3-hydroxybenzoyl)piperidin-4-yl]-[4-(1-phenyltriazol-4-yl)phenyl]methanone?
The IUPAC name of [1-(3-hydroxybenzoyl)piperidin-4-yl]-[4-(1-phenyltriazol-4-yl)phenyl]methanone (CID 162666458) is [1-(3-hydroxybenzoyl)piperidin-4-yl]-[4-(1-phenyltriazol-4-yl)phenyl]methanone.
What is the SMILES notation for [1-(3-hydroxybenzoyl)piperidin-4-yl]-[4-(1-phenyltriazol-4-yl)phenyl]methanone?
The canonical SMILES for [1-(3-hydroxybenzoyl)piperidin-4-yl]-[4-(1-phenyltriazol-4-yl)phenyl]methanone is O=C(c1ccc(-c2cn(-c3ccccc3)nn2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of [1-(3-hydroxybenzoyl)piperidin-4-yl]-[4-(1-phenyltriazol-4-yl)phenyl]methanone?
The InChIKey is HQAWVROPXXJXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c32-24-8-4-5-22(17-24)27(34)30-15-13-21(14-16-30)26(33)20-11-9-19(10-12-20)25-18-31(29-28-25)23-6-2-1-3-7-23/h1-12,17-18,21,32H,13-16H2.
What are the key properties of [1-(3-hydroxybenzoyl)piperidin-4-yl]-[4-(1-phenyltriazol-4-yl)phenyl]methanone?
[1-(3-hydroxybenzoyl)piperidin-4-yl]-[4-(1-phenyltriazol-4-yl)phenyl]methanone has a molecular weight of 452.51 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-hydroxybenzoyl)piperidin-4-yl]-[4-(1-phenyltriazol-4-yl)phenyl]methanone is sourced from PubChem (CID 162666458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).