[1-(2,4-difluoro-5-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone

C22H23F2NO3 — CID 162657438

IUPAC[1-(2,4-difluoro-5-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)C2CCN(C(=O)c3cc(O)c(F)cc3F)CC2)cc1
InChIInChI=1S/C22H23F2NO3/c1-13(2)14-3-5-15(6-4-14)21(27)16-7-9-25(10-8-16)22(28)17-11-20(26)19(24)12-18(17)23/h3-6,11-13,16,26H,7-10H2,1-2H3
InChIKeyFZBKWZIDLKEHTE-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.53
Rot. Bonds4

About [1-(2,4-difluoro-5-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone

[1-(2,4-difluoro-5-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 162657438) has the molecular formula C22H23F2NO3 and a molecular weight of 387.43 g/mol. Its IUPAC name is [1-(2,4-difluoro-5-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[1-(2,4-difluoro-5-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID162657438
Molecular FormulaC22H23F2NO3
Molecular Weight387.43 g/mol
Exact Mass387.16
IUPAC Name[1-(2,4-difluoro-5-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)C2CCN(C(=O)c3cc(O)c(F)cc3F)CC2)cc1
InChIInChI=1S/C22H23F2NO3/c1-13(2)14-3-5-15(6-4-14)21(27)16-7-9-25(10-8-16)22(28)17-11-20(26)19(24)12-18(17)23/h3-6,11-13,16,26H,7-10H2,1-2H3
InChIKeyFZBKWZIDLKEHTE-UHFFFAOYSA-N
XLogP4.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluoro-5-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [1-(2,4-difluoro-5-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone (CID 162657438) is [1-(2,4-difluoro-5-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [1-(2,4-difluoro-5-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [1-(2,4-difluoro-5-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)C2CCN(C(=O)c3cc(O)c(F)cc3F)CC2)cc1.
What is the InChIKey of [1-(2,4-difluoro-5-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is FZBKWZIDLKEHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2NO3/c1-13(2)14-3-5-15(6-4-14)21(27)16-7-9-25(10-8-16)22(28)17-11-20(26)19(24)12-18(17)23/h3-6,11-13,16,26H,7-10H2,1-2H3.
What are the key properties of [1-(2,4-difluoro-5-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone?
[1-(2,4-difluoro-5-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 387.43 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluoro-5-hydroxybenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 162657438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).