(4-methoxyphenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone

C21H23NO3 — CID 1437821

IUPAC(4-methoxyphenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H23NO3/c1-15-3-5-18(6-4-15)21(24)22-13-11-17(12-14-22)20(23)16-7-9-19(25-2)10-8-16/h3-10,17H,11-14H2,1-2H3
InChIKeyWUCGZQLQDZBKPZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.74
Rot. Bonds4

About (4-methoxyphenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone

(4-methoxyphenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone (PubChem CID 1437821) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
PubChem CID1437821
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(4-methoxyphenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H23NO3/c1-15-3-5-18(6-4-15)21(24)22-13-11-17(12-14-22)20(23)16-7-9-19(25-2)10-8-16/h3-10,17H,11-14H2,1-2H3
InChIKeyWUCGZQLQDZBKPZ-UHFFFAOYSA-N
XLogP3.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone (CID 1437821) is (4-methoxyphenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone?
The InChIKey is WUCGZQLQDZBKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-15-3-5-18(6-4-15)21(24)22-13-11-17(12-14-22)20(23)16-7-9-19(25-2)10-8-16/h3-10,17H,11-14H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone?
(4-methoxyphenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone has a molecular weight of 337.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-(4-methylbenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 1437821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).