6-(2,6-dimethoxyphenyl)-1-[(3-pyrimidin-2-ylphenyl)methyl]piperidin-2-one

C24H25N3O3 — CID 69085047

IUPAC6-(2,6-dimethoxyphenyl)-1-[(3-pyrimidin-2-ylphenyl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2ncccn2)c1
InChIInChI=1S/C24H25N3O3/c1-29-20-10-5-11-21(30-2)23(20)19-9-4-12-22(28)27(19)16-17-7-3-8-18(15-17)24-25-13-6-14-26-24/h3,5-8,10-11,13-15,19H,4,9,12,16H2,1-2H3
InChIKeyHROQOTIYMUULKT-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.41
Rot. Bonds6

About 6-(2,6-dimethoxyphenyl)-1-[(3-pyrimidin-2-ylphenyl)methyl]piperidin-2-one

6-(2,6-dimethoxyphenyl)-1-[(3-pyrimidin-2-ylphenyl)methyl]piperidin-2-one (PubChem CID 69085047) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-1-[(3-pyrimidin-2-ylphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-1-[(3-pyrimidin-2-ylphenyl)methyl]piperidin-2-one
PubChem CID69085047
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name6-(2,6-dimethoxyphenyl)-1-[(3-pyrimidin-2-ylphenyl)methyl]piperidin-2-one
SMILESCOc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2ncccn2)c1
InChIInChI=1S/C24H25N3O3/c1-29-20-10-5-11-21(30-2)23(20)19-9-4-12-22(28)27(19)16-17-7-3-8-18(15-17)24-25-13-6-14-26-24/h3,5-8,10-11,13-15,19H,4,9,12,16H2,1-2H3
InChIKeyHROQOTIYMUULKT-UHFFFAOYSA-N
XLogP4.41
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(3-pyrimidin-2-ylphenyl)methyl]piperidin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-1-[(3-pyrimidin-2-ylphenyl)methyl]piperidin-2-one (CID 69085047) is 6-(2,6-dimethoxyphenyl)-1-[(3-pyrimidin-2-ylphenyl)methyl]piperidin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-1-[(3-pyrimidin-2-ylphenyl)methyl]piperidin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-1-[(3-pyrimidin-2-ylphenyl)methyl]piperidin-2-one is COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2ncccn2)c1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-1-[(3-pyrimidin-2-ylphenyl)methyl]piperidin-2-one?
The InChIKey is HROQOTIYMUULKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-29-20-10-5-11-21(30-2)23(20)19-9-4-12-22(28)27(19)16-17-7-3-8-18(15-17)24-25-13-6-14-26-24/h3,5-8,10-11,13-15,19H,4,9,12,16H2,1-2H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-1-[(3-pyrimidin-2-ylphenyl)methyl]piperidin-2-one?
6-(2,6-dimethoxyphenyl)-1-[(3-pyrimidin-2-ylphenyl)methyl]piperidin-2-one has a molecular weight of 403.48 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-1-[(3-pyrimidin-2-ylphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 69085047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).