[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone

C23H23N3O3 — CID 24790073

IUPAC[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
SMILESCn1nccc1C(=O)N1CCCC(C(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C23H23N3O3/c1-25-21(13-14-24-25)23(28)26-15-5-6-18(16-26)22(27)17-9-11-20(12-10-17)29-19-7-3-2-4-8-19/h2-4,7-14,18H,5-6,15-16H2,1H3
InChIKeyILAJSLXEVNFNOL-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.95
Rot. Bonds5

About [1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone

[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone (PubChem CID 24790073) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is [1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
PubChem CID24790073
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
SMILESCn1nccc1C(=O)N1CCCC(C(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C23H23N3O3/c1-25-21(13-14-24-25)23(28)26-15-5-6-18(16-26)22(27)17-9-11-20(12-10-17)29-19-7-3-2-4-8-19/h2-4,7-14,18H,5-6,15-16H2,1H3
InChIKeyILAJSLXEVNFNOL-UHFFFAOYSA-N
XLogP3.95
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone (CID 24790073) is [1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone is Cn1nccc1C(=O)N1CCCC(C(=O)c2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of [1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is ILAJSLXEVNFNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-25-21(13-14-24-25)23(28)26-15-5-6-18(16-26)22(27)17-9-11-20(12-10-17)29-19-7-3-2-4-8-19/h2-4,7-14,18H,5-6,15-16H2,1H3.
What are the key properties of [1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 389.46 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 24790073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).