3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one

C22H32N4O4 — CID 110099223

IUPAC3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
SMILESCc1cc(N2CC3(CCOCC3)OC2=O)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C22H32N4O4/c1-15-13-17(26-14-22(30-20(26)28)7-11-29-12-8-22)24-18(23-15)16-5-9-25(10-6-16)19(27)21(2,3)4/h13,16H,5-12,14H2,1-4H3
InChIKeyAINBWWBHIJDJSK-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.04
Rot. Bonds2

About 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one

3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one (PubChem CID 110099223) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
PubChem CID110099223
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC Name3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
SMILESCc1cc(N2CC3(CCOCC3)OC2=O)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C22H32N4O4/c1-15-13-17(26-14-22(30-20(26)28)7-11-29-12-8-22)24-18(23-15)16-5-9-25(10-6-16)19(27)21(2,3)4/h13,16H,5-12,14H2,1-4H3
InChIKeyAINBWWBHIJDJSK-UHFFFAOYSA-N
XLogP3.04
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one with MolForge

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Related Compounds

[1-(2,6-Dimethylpyrimidin-4-yl)piperidin-3-yl] 3-(2-oxopyrrolidin-1-yl)propanoate
CID 72020407
Tert-butyl 4-[4-methyl-6-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]piperidine-1-carboxylate
CID 110099207
[1-(2-Amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 56808656
Tert-butyl 4-[2-methyl-6-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)pyrimidin-4-yl]piperidine-1-carboxylate
CID 110099173
3-[6-[1-(2,2-Dimethylpropanoyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 110099182
3-[6-(1-Acetylpiperidin-4-yl)-2-methylpyrimidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 110099186
3-[6-[1-(2,2-Dimethylpropanoyl)piperidin-4-yl]-2-methylpyrimidin-4-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
CID 110099191
3-[2-[1-(2,2-Dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
CID 110099206
3-[2-[1-(2,2-Dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 110099213
3-[6-Methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 110099215
3-[2-[1-(2,2-Dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 110099216
3-(6-Methyl-2-piperidin-4-ylpyrimidin-4-yl)-1-oxa-3-azaspiro[4.5]decan-2-one
CID 110099218

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one (CID 110099223) is 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one is Cc1cc(N2CC3(CCOCC3)OC2=O)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1.
What is the InChIKey of 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is AINBWWBHIJDJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-15-13-17(26-14-22(30-20(26)28)7-11-29-12-8-22)24-18(23-15)16-5-9-25(10-6-16)19(27)21(2,3)4/h13,16H,5-12,14H2,1-4H3.
What are the key properties of 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 416.52 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-methylpyrimidin-4-yl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 110099223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).