2-(4-methoxyphenyl)-1-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]ethanone

C24H27N3O2 — CID 71842328

IUPAC2-(4-methoxyphenyl)-1-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3cnn(-c4ccc(C)cc4)c3)CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-18-3-7-22(8-4-18)27-17-21(16-25-27)20-11-13-26(14-12-20)24(28)15-19-5-9-23(29-2)10-6-19/h3-10,16-17,20H,11-15H2,1-2H3
InChIKeyIXMJJPOIZWDWDZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.14
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]ethanone (PubChem CID 71842328) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]ethanone
PubChem CID71842328
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-(4-methoxyphenyl)-1-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3cnn(-c4ccc(C)cc4)c3)CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-18-3-7-22(8-4-18)27-17-21(16-25-27)20-11-13-26(14-12-20)24(28)15-19-5-9-23(29-2)10-6-19/h3-10,16-17,20H,11-15H2,1-2H3
InChIKeyIXMJJPOIZWDWDZ-UHFFFAOYSA-N
XLogP4.14
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]ethanone (CID 71842328) is 2-(4-methoxyphenyl)-1-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCC(c3cnn(-c4ccc(C)cc4)c3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]ethanone?
The InChIKey is IXMJJPOIZWDWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18-3-7-22(8-4-18)27-17-21(16-25-27)20-11-13-26(14-12-20)24(28)15-19-5-9-23(29-2)10-6-19/h3-10,16-17,20H,11-15H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]ethanone has a molecular weight of 389.50 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[4-[1-(4-methylphenyl)pyrazol-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71842328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).