[1-(4-methoxybenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone

C23H27NO3 — CID 2741901

IUPAC[1-(4-methoxybenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C(=O)c3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C23H27NO3/c1-15-13-16(2)21(17(3)14-15)22(25)18-9-11-24(12-10-18)23(26)19-5-7-20(27-4)8-6-19/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyHTQSTJFXMDKCHB-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.36
Rot. Bonds4

About [1-(4-methoxybenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone

[1-(4-methoxybenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 2741901) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is [1-(4-methoxybenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[1-(4-methoxybenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone
PubChem CID2741901
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name[1-(4-methoxybenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(C(=O)c3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C23H27NO3/c1-15-13-16(2)21(17(3)14-15)22(25)18-9-11-24(12-10-18)23(26)19-5-7-20(27-4)8-6-19/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyHTQSTJFXMDKCHB-UHFFFAOYSA-N
XLogP4.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxybenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [1-(4-methoxybenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone (CID 2741901) is [1-(4-methoxybenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [1-(4-methoxybenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [1-(4-methoxybenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone is COc1ccc(C(=O)N2CCC(C(=O)c3c(C)cc(C)cc3C)CC2)cc1.
What is the InChIKey of [1-(4-methoxybenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is HTQSTJFXMDKCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-15-13-16(2)21(17(3)14-15)22(25)18-9-11-24(12-10-18)23(26)19-5-7-20(27-4)8-6-19/h5-8,13-14,18H,9-12H2,1-4H3.
What are the key properties of [1-(4-methoxybenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone?
[1-(4-methoxybenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 365.47 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxybenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 2741901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).