3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoate

C13H22NO5- — CID 143388129

IUPAC3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoate
SMILESCC(C)(C)OC(=O)N1CCC(OCCC(=O)[O-])CC1
InChIInChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-7-4-10(5-8-14)18-9-6-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)/p-1
InChIKeyYMGADXXOTWPYBL-UHFFFAOYSA-M
MW272.32 g/mol
LogP0.54
Rot. Bonds4

About 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoate

3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoate (PubChem CID 143388129) has the molecular formula C13H22NO5- and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoate.

Molecular Properties

Compound Name3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoate
PubChem CID143388129
Molecular FormulaC13H22NO5-
Molecular Weight272.32 g/mol
Exact Mass272.15
IUPAC Name3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoate
SMILESCC(C)(C)OC(=O)N1CCC(OCCC(=O)[O-])CC1
InChIInChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-7-4-10(5-8-14)18-9-6-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)/p-1
InChIKeyYMGADXXOTWPYBL-UHFFFAOYSA-M
XLogP0.54
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-({1-[(Tert-butoxy)carbonyl]piperidin-4-yl}oxy)propanoic acid
CID 58022752
methyl (4R)-4-[(2-methylpropan-2-yl)oxy]-2-oxopiperidine-1-carboxylate
CID 102417916
Tert-butyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate
CID 58571501
2-Methylbutan-2-yl 4-(3,3,3-trifluoro-2-methylpropanoyl)oxypiperidine-1-carboxylate
CID 89457829
Tert-butyl 4-(2-fluoropropanoyloxy)piperidine-1-carboxylate
CID 174427847
Tert-butyl 4-butanoyloxy-3-fluoropiperidine-1-carboxylate
CID 174458984
Methyl 4-(acetyloxy)-1-piperidinecarboxylate
CID 21580771
Tert-butyl 4-(2,2,2-trifluoroacetyl)oxypiperidine-1-carboxylate
CID 84413865
tert-butyl 4-[(2R)-4-ethoxy-1,1,1-trifluoro-4-oxobutan-2-yl]oxypiperidine-1-carboxylate
CID 99770770
tert-butyl 4-[(2S)-4-ethoxy-1,1,1-trifluoro-4-oxobutan-2-yl]oxypiperidine-1-carboxylate
CID 99770771
tert-butyl 4-(4-Ethoxy-1,1,1-trifluoro-4-oxobutan-2-yloxy)piperidine-1-carboxylate
CID 121521907
1-(2,2-Dimethylpropanoyl)piperidin-4-YL acetate
CID 53016380

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoate?
The IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoate (CID 143388129) is 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoate.
What is the SMILES notation for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoate?
The canonical SMILES for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoate is CC(C)(C)OC(=O)N1CCC(OCCC(=O)[O-])CC1.
What is the InChIKey of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoate?
The InChIKey is YMGADXXOTWPYBL-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H23NO5/c1-13(2,3)19-12(17)14-7-4-10(5-8-14)18-9-6-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)/p-1.
What are the key properties of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoate?
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoate has a molecular weight of 272.32 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypropanoate is sourced from PubChem (CID 143388129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).