[4-(2-methoxyphenyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone

C23H25N3O2 — CID 2810968

IUPAC[4-(2-methoxyphenyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCOc1ccccc1C1CCN(C(=O)c2cnn(-c3ccccc3)c2C)CC1
InChIInChI=1S/C23H25N3O2/c1-17-21(16-24-26(17)19-8-4-3-5-9-19)23(27)25-14-12-18(13-15-25)20-10-6-7-11-22(20)28-2/h3-11,16,18H,12-15H2,1-2H3
InChIKeySFTMVDXPSBQOBJ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.21
Rot. Bonds4

About [4-(2-methoxyphenyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone

[4-(2-methoxyphenyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone (PubChem CID 2810968) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
PubChem CID2810968
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[4-(2-methoxyphenyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
SMILESCOc1ccccc1C1CCN(C(=O)c2cnn(-c3ccccc3)c2C)CC1
InChIInChI=1S/C23H25N3O2/c1-17-21(16-24-26(17)19-8-4-3-5-9-19)23(27)25-14-12-18(13-15-25)20-10-6-7-11-22(20)28-2/h3-11,16,18H,12-15H2,1-2H3
InChIKeySFTMVDXPSBQOBJ-UHFFFAOYSA-N
XLogP4.21
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone (CID 2810968) is [4-(2-methoxyphenyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone is COc1ccccc1C1CCN(C(=O)c2cnn(-c3ccccc3)c2C)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
The InChIKey is SFTMVDXPSBQOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-21(16-24-26(17)19-8-4-3-5-9-19)23(27)25-14-12-18(13-15-25)20-10-6-7-11-22(20)28-2/h3-11,16,18H,12-15H2,1-2H3.
What are the key properties of [4-(2-methoxyphenyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone?
[4-(2-methoxyphenyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone has a molecular weight of 375.47 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 2810968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).