[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone

C23H23N3O3 — CID 24791717

IUPAC[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
SMILESCc1cc(C(=O)N2CCCC(C(=O)c3ccc(Oc4ccccc4)cc3)C2)n[nH]1
InChIInChI=1S/C23H23N3O3/c1-16-14-21(25-24-16)23(28)26-13-5-6-18(15-26)22(27)17-9-11-20(12-10-17)29-19-7-3-2-4-8-19/h2-4,7-12,14,18H,5-6,13,15H2,1H3,(H,24,25)
InChIKeyIKBRDQWGXWXGCB-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.25
Rot. Bonds5

About [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone

[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone (PubChem CID 24791717) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
PubChem CID24791717
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
SMILESCc1cc(C(=O)N2CCCC(C(=O)c3ccc(Oc4ccccc4)cc3)C2)n[nH]1
InChIInChI=1S/C23H23N3O3/c1-16-14-21(25-24-16)23(28)26-13-5-6-18(15-26)22(27)17-9-11-20(12-10-17)29-19-7-3-2-4-8-19/h2-4,7-12,14,18H,5-6,13,15H2,1H3,(H,24,25)
InChIKeyIKBRDQWGXWXGCB-UHFFFAOYSA-N
XLogP4.25
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone (CID 24791717) is [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone is Cc1cc(C(=O)N2CCCC(C(=O)c3ccc(Oc4ccccc4)cc3)C2)n[nH]1.
What is the InChIKey of [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is IKBRDQWGXWXGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-14-21(25-24-16)23(28)26-13-5-6-18(15-26)22(27)17-9-11-20(12-10-17)29-19-7-3-2-4-8-19/h2-4,7-12,14,18H,5-6,13,15H2,1H3,(H,24,25).
What are the key properties of [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 389.46 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 24791717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).