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

C23H25N3O2 — CID 53149264

IUPAC2-(4-methoxyphenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3cnn(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C23H25N3O2/c1-28-22-9-7-18(8-10-22)15-23(27)25-13-11-19(12-14-25)20-16-24-26(17-20)21-5-3-2-4-6-21/h2-10,16-17,19H,11-15H2,1H3
InChIKeySWFSAOJTIYQPIG-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.83
Rot. Bonds5

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

2-(4-methoxyphenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone (PubChem CID 53149264) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone
PubChem CID53149264
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-(4-methoxyphenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3cnn(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C23H25N3O2/c1-28-22-9-7-18(8-10-22)15-23(27)25-13-11-19(12-14-25)20-16-24-26(17-20)21-5-3-2-4-6-21/h2-10,16-17,19H,11-15H2,1H3
InChIKeySWFSAOJTIYQPIG-UHFFFAOYSA-N
XLogP3.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.83
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-phenylpyrazol-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone (CID 53149264) is 2-(4-methoxyphenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCC(c3cnn(-c4ccccc4)c3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone?
The InChIKey is SWFSAOJTIYQPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-28-22-9-7-18(8-10-22)15-23(27)25-13-11-19(12-14-25)20-16-24-26(17-20)21-5-3-2-4-6-21/h2-10,16-17,19H,11-15H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone has a molecular weight of 375.47 g/mol, XLogP of 3.83, 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-phenylpyrazol-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53149264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).