4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one

C17H21N3O4 — CID 90629179

IUPAC4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
SMILESCc1cc(C(=O)N2CCC(Oc3cc(C)oc(=O)c3)CC2)n(C)n1
InChIInChI=1S/C17H21N3O4/c1-11-8-15(19(3)18-11)17(22)20-6-4-13(5-7-20)24-14-9-12(2)23-16(21)10-14/h8-10,13H,4-7H2,1-3H3
InChIKeyCBOILYWGDYYPHQ-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.67
Rot. Bonds3

About 4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one

4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one (PubChem CID 90629179) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one.

Molecular Properties

Compound Name4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
PubChem CID90629179
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
SMILESCc1cc(C(=O)N2CCC(Oc3cc(C)oc(=O)c3)CC2)n(C)n1
InChIInChI=1S/C17H21N3O4/c1-11-8-15(19(3)18-11)17(22)20-6-4-13(5-7-20)24-14-9-12(2)23-16(21)10-14/h8-10,13H,4-7H2,1-3H3
InChIKeyCBOILYWGDYYPHQ-UHFFFAOYSA-N
XLogP1.67
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-4-[(3R)-1-(1-methyl-3-phenylpyrazole-5-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
CID 99877849
6-methyl-4-[(3S)-1-(1-methyl-3-phenylpyrazole-5-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
CID 99877851
4-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628984
4-[1-[4-(3,4-dichlorophenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one
CID 121155785
4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628963
4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629098
[3-(3-chlorophenoxy)pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 75391812
4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628983
6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one
CID 90629092
4-[1-(4-butoxybenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628996
(2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 66126872
6-methyl-4-[1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-4-yl]oxypyran-2-one
CID 90628971

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one?
The IUPAC name of 4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one (CID 90629179) is 4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one.
What is the SMILES notation for 4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one?
The canonical SMILES for 4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one is Cc1cc(C(=O)N2CCC(Oc3cc(C)oc(=O)c3)CC2)n(C)n1.
What is the InChIKey of 4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one?
The InChIKey is CBOILYWGDYYPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11-8-15(19(3)18-11)17(22)20-6-4-13(5-7-20)24-14-9-12(2)23-16(21)10-14/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one?
4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one has a molecular weight of 331.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one is sourced from PubChem (CID 90629179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).