4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylic acid

C13H23NO5 — CID 91550371

IUPAC4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)CCOC1CCN(C(=O)O)CC1
InChIInChI=1S/C13H23NO5/c1-13(2,3)19-11(15)6-9-18-10-4-7-14(8-5-10)12(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeySQQQUFSWMBPLEX-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.88
Rot. Bonds4

About 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylic acid

4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylic acid (PubChem CID 91550371) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylic acid
PubChem CID91550371
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)CCOC1CCN(C(=O)O)CC1
InChIInChI=1S/C13H23NO5/c1-13(2,3)19-11(15)6-9-18-10-4-7-14(8-5-10)12(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeySQQQUFSWMBPLEX-UHFFFAOYSA-N
XLogP1.88
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-({1-[(Tert-butoxy)carbonyl]piperidin-4-yl}oxy)propanoic acid
CID 58022752
3-[(1-Methylpiperidin-4-yl)oxy]propanoic acid hydrochloride
CID 146083019
methyl (4R)-4-[(2-methylpropan-2-yl)oxy]-2-oxopiperidine-1-carboxylate
CID 102417916
3-[(1-Methylpiperidin-4-yl)oxy]propanoic acid
CID 57097192
Tert-butyl 4-(2-fluoropropanoyloxy)piperidine-1-carboxylate
CID 174427847
3-[1-(3,3,3-Trifluoropropanoyl)piperidin-4-yl]oxypropanoic acid
CID 63871388
3-[1-(2,2,2-Trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid
CID 63876506
3-[1-[3-(2,2-Difluoroethoxy)propanoyl]piperidin-4-yl]oxypropanoic acid
CID 103206021
2-[3-[(2-Methylpropan-2-yl)oxycarbonyl]-1,3-oxazinan-2-yl]acetic acid
CID 15485137
Tert-butyl 4-butanoyloxypiperidine-1-carboxylate
CID 17781795
4-Acetyloxypiperidine-1-carboxylic acid
CID 19976089
Tert-butyl 4-acetoxypiperidine-1-carboxylate
CID 21660336

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylic acid (CID 91550371) is 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylic acid is CC(C)(C)OC(=O)CCOC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylic acid?
The InChIKey is SQQQUFSWMBPLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-13(2,3)19-11(15)6-9-18-10-4-7-14(8-5-10)12(16)17/h10H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylic acid?
4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 91550371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).