[1-(5-hydroxy-2-methylbenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone

C23H27NO3 — CID 162654960

IUPAC[1-(5-hydroxy-2-methylbenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone
SMILESCc1ccc(O)cc1C(=O)N1CCC(C(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C23H27NO3/c1-15(2)17-5-7-18(8-6-17)22(26)19-10-12-24(13-11-19)23(27)21-14-20(25)9-4-16(21)3/h4-9,14-15,19,25H,10-13H2,1-3H3
InChIKeyJNGYBTZFWSODPE-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.56
Rot. Bonds4

About [1-(5-hydroxy-2-methylbenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone

[1-(5-hydroxy-2-methylbenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 162654960) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is [1-(5-hydroxy-2-methylbenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[1-(5-hydroxy-2-methylbenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID162654960
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name[1-(5-hydroxy-2-methylbenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone
SMILESCc1ccc(O)cc1C(=O)N1CCC(C(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C23H27NO3/c1-15(2)17-5-7-18(8-6-17)22(26)19-10-12-24(13-11-19)23(27)21-14-20(25)9-4-16(21)3/h4-9,14-15,19,25H,10-13H2,1-3H3
InChIKeyJNGYBTZFWSODPE-UHFFFAOYSA-N
XLogP4.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(5-hydroxy-2-methylbenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [1-(5-hydroxy-2-methylbenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone (CID 162654960) is [1-(5-hydroxy-2-methylbenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [1-(5-hydroxy-2-methylbenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [1-(5-hydroxy-2-methylbenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone is Cc1ccc(O)cc1C(=O)N1CCC(C(=O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of [1-(5-hydroxy-2-methylbenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is JNGYBTZFWSODPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-15(2)17-5-7-18(8-6-17)22(26)19-10-12-24(13-11-19)23(27)21-14-20(25)9-4-16(21)3/h4-9,14-15,19,25H,10-13H2,1-3H3.
What are the key properties of [1-(5-hydroxy-2-methylbenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone?
[1-(5-hydroxy-2-methylbenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 365.47 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-hydroxy-2-methylbenzoyl)piperidin-4-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 162654960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).