2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone

C25H27N3O3 — CID 45218026

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCCC(C(=O)c3ccc(Oc4ccccc4)cc3)C2)n1
InChIInChI=1S/C25H27N3O3/c1-18-15-19(2)28(26-18)17-24(29)27-14-6-7-21(16-27)25(30)20-10-12-23(13-11-20)31-22-8-4-3-5-9-22/h3-5,8-13,15,21H,6-7,14,16-17H2,1-2H3
InChIKeyLVZGQONJUIMJFG-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.41
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone (PubChem CID 45218026) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
PubChem CID45218026
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCCC(C(=O)c3ccc(Oc4ccccc4)cc3)C2)n1
InChIInChI=1S/C25H27N3O3/c1-18-15-19(2)28(26-18)17-24(29)27-14-6-7-21(16-27)25(30)20-10-12-23(13-11-20)31-22-8-4-3-5-9-22/h3-5,8-13,15,21H,6-7,14,16-17H2,1-2H3
InChIKeyLVZGQONJUIMJFG-UHFFFAOYSA-N
XLogP4.41
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(3-benzoylpiperidin-1-yl)-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 102602842
2-methylsulfanyl-1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
CID 42306399
(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94486409
3-[2-oxo-2-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 45251428
1-[(3S)-3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 92633517
1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42094086
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 45241198
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534087
6-chloro-2-[2-oxo-2-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 42567357
(4-phenoxyphenyl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 45205792
1-[3-(4-methylbenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110394612

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone (CID 45218026) is 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCCC(C(=O)c3ccc(Oc4ccccc4)cc3)C2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone?
The InChIKey is LVZGQONJUIMJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-18-15-19(2)28(26-18)17-24(29)27-14-6-7-21(16-27)25(30)20-10-12-23(13-11-20)31-22-8-4-3-5-9-22/h3-5,8-13,15,21H,6-7,14,16-17H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone has a molecular weight of 417.51 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 45218026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).