4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one

C21H24N2O5 — CID 121156367

IUPAC4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)cc(=O)n1C
InChIInChI=1S/C21H24N2O5/c1-14-9-17(12-20(24)22(14)2)28-16-5-7-23(8-6-16)21(25)11-15-3-4-18-19(10-15)27-13-26-18/h3-4,9-10,12,16H,5-8,11,13H2,1-2H3
InChIKeyUYVWELXEWGPXBR-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.03
Rot. Bonds4

About 4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one

4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one (PubChem CID 121156367) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
PubChem CID121156367
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)cc(=O)n1C
InChIInChI=1S/C21H24N2O5/c1-14-9-17(12-20(24)22(14)2)28-16-5-7-23(8-6-16)21(25)11-15-3-4-18-19(10-15)27-13-26-18/h3-4,9-10,12,16H,5-8,11,13H2,1-2H3
InChIKeyUYVWELXEWGPXBR-UHFFFAOYSA-N
XLogP2.03
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one with MolForge

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Related Compounds

4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156253
4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265539
2-(1,3-benzodioxol-5-yl)-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121160952
1,6-dimethyl-4-[1-(2-phenoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121156235
4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156321
1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121182574
1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156275
1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-one
CID 82132978
2-(1,3-benzodioxol-5-yl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 110802155
oxolan-2-ylmethyl 4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 121182592
2-(1,3-benzodioxol-5-yl)-1-[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 6489327
4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628963

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one (CID 121156367) is 4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one is Cc1cc(OC2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)cc(=O)n1C.
What is the InChIKey of 4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The InChIKey is UYVWELXEWGPXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-14-9-17(12-20(24)22(14)2)28-16-5-7-23(8-6-16)21(25)11-15-3-4-18-19(10-15)27-13-26-18/h3-4,9-10,12,16H,5-8,11,13H2,1-2H3.
What are the key properties of 4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one has a molecular weight of 384.43 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 121156367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).