1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one

C23H25N3O3 — CID 121156319

IUPAC1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc(=O)n1C
InChIInChI=1S/C23H25N3O3/c1-17-15-21(16-22(27)24(17)2)29-20-9-13-26(14-10-20)23(28)18-5-7-19(8-6-18)25-11-3-4-12-25/h3-8,11-12,15-16,20H,9-10,13-14H2,1-2H3
InChIKeyPSEJZNSBPINKEW-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.17
Rot. Bonds4

About 1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one

1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one (PubChem CID 121156319) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one
PubChem CID121156319
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc(=O)n1C
InChIInChI=1S/C23H25N3O3/c1-17-15-21(16-22(27)24(17)2)29-20-9-13-26(14-10-20)23(28)18-5-7-19(8-6-18)25-11-3-4-12-25/h3-8,11-12,15-16,20H,9-10,13-14H2,1-2H3
InChIKeyPSEJZNSBPINKEW-UHFFFAOYSA-N
XLogP3.17
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 121156265
1,6-dimethyl-4-[1-(2-phenoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121156235
4-(1-butanoylpiperidin-4-yl)oxy-1,6-dimethylpyridin-2-one
CID 121156306
1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156254
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 119100305
1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one
CID 86265656
4-(1-benzoylpiperidin-4-yl)oxy-1-(4-methylsulfonylphenyl)pyridin-2-one
CID 25204715
4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265657
4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156264
1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121182574
1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one
CID 86265620
1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156275

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one?
The IUPAC name of 1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one (CID 121156319) is 1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one?
The canonical SMILES for 1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one is Cc1cc(OC2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)cc(=O)n1C.
What is the InChIKey of 1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one?
The InChIKey is PSEJZNSBPINKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17-15-21(16-22(27)24(17)2)29-20-9-13-26(14-10-20)23(28)18-5-7-19(8-6-18)25-11-3-4-12-25/h3-8,11-12,15-16,20H,9-10,13-14H2,1-2H3.
What are the key properties of 1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one?
1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one has a molecular weight of 391.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one is sourced from PubChem (CID 121156319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).