4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one

C25H25NO5 — CID 90629010

IUPAC4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one
SMILESCOc1cccc(-c2ccc(C(=O)N3CCC(Oc4cc(C)oc(=O)c4)CC3)cc2)c1
InChIInChI=1S/C25H25NO5/c1-17-14-23(16-24(27)30-17)31-21-10-12-26(13-11-21)25(28)19-8-6-18(7-9-19)20-4-3-5-22(15-20)29-2/h3-9,14-16,21H,10-13H2,1-2H3
InChIKeyRBWXPMPDTGXZIQ-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.31
Rot. Bonds5

About 4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one

4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one (PubChem CID 90629010) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is 4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one.

Molecular Properties

Compound Name4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one
PubChem CID90629010
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one
SMILESCOc1cccc(-c2ccc(C(=O)N3CCC(Oc4cc(C)oc(=O)c4)CC3)cc2)c1
InChIInChI=1S/C25H25NO5/c1-17-14-23(16-24(27)30-17)31-21-10-12-26(13-11-21)25(28)19-8-6-18(7-9-19)20-4-3-5-22(15-20)29-2/h3-9,14-16,21H,10-13H2,1-2H3
InChIKeyRBWXPMPDTGXZIQ-UHFFFAOYSA-N
XLogP4.31
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[4-(3,4-dichlorophenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one
CID 121155785
4-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628984
4-[1-(4-butoxybenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628996
[4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616349
4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628963
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629098
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
CID 166377497
4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile
CID 24732831
4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629229
4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629179

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one?
The IUPAC name of 4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one (CID 90629010) is 4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one.
What is the SMILES notation for 4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one?
The canonical SMILES for 4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one is COc1cccc(-c2ccc(C(=O)N3CCC(Oc4cc(C)oc(=O)c4)CC3)cc2)c1.
What is the InChIKey of 4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one?
The InChIKey is RBWXPMPDTGXZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-17-14-23(16-24(27)30-17)31-21-10-12-26(13-11-21)25(28)19-8-6-18(7-9-19)20-4-3-5-22(15-20)29-2/h3-9,14-16,21H,10-13H2,1-2H3.
What are the key properties of 4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one?
4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one has a molecular weight of 419.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one is sourced from PubChem (CID 90629010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).