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

C13H23NO4 — CID 68803778

IUPAC1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
SMILESCC(C(=O)OC(C)(C)C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23NO4/c1-9(12(17)18-13(2,3)4)14-7-5-10(6-8-14)11(15)16/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyGPSYYRQRPCNTTQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.51
Rot. Bonds3

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

1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]piperidine-4-carboxylic acid (PubChem CID 68803778) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
PubChem CID68803778
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
SMILESCC(C(=O)OC(C)(C)C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23NO4/c1-9(12(17)18-13(2,3)4)14-7-5-10(6-8-14)11(15)16/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyGPSYYRQRPCNTTQ-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate
CID 74605
2-(4-(Ethoxycarbonyl)piperidin-1-yl)acetic acid
CID 52903749
Methyl 4-carbethoxy-1-piperidineacetate
CID 260383
1-(Carboxymethyl)piperidine-4-carboxylic acid
CID 1207788
1-[2-(Tert-butoxy)-2-oxoethyl]piperidine-4-carboxylic acid
CID 18404616
Methyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
CID 296033
[4-(Ethoxycarbonyl)piperidin-1-yl]acetic acid hydrochloride
CID 71778948
4-fluoro-4-[methyl-[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]piperidine-1-carboxylic acid
CID 156312233
4-Fluoro-4-[methyl-[3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]piperidine-1-carboxylic acid
CID 156312234
1-[2-(Dimethylamino)ethyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-1-ium-4-carboxylic acid;2,2,2-trifluoroacetate
CID 166463606
tert-Butyl 2-(4-(hydroxymethyl)piperidin-1-yl)acetate
CID 60768604
Butyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
CID 13954143

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]piperidine-4-carboxylic acid (CID 68803778) is 1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]piperidine-4-carboxylic acid is CC(C(=O)OC(C)(C)C)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The InChIKey is GPSYYRQRPCNTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-9(12(17)18-13(2,3)4)14-7-5-10(6-8-14)11(15)16/h9-10H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]piperidine-4-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 68803778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).