ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

C14H27NO4 — CID 142839957

IUPACethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC.CC(C)(C)OC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H21NO4.C2H6/c1-11(2,3)17-10(16)13-7-5-12(4,6-8-13)9(14)15;1-2/h5-8H2,1-4H3,(H,14,15);1-2H3
InChIKeyRQFGVXFMZHQAPU-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.13
Rot. Bonds1

About ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 142839957) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Nameethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID142839957
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nameethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC.CC(C)(C)OC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C12H21NO4.C2H6/c1-11(2,3)17-10(16)13-7-5-12(4,6-8-13)9(14)15;1-2/h5-8H2,1-4H3,(H,14,15);1-2H3
InChIKeyRQFGVXFMZHQAPU-UHFFFAOYSA-N
XLogP3.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(dimethylcarbamoyl)-4-methylpiperidine-1-carboxylate;dimethylazanium;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;chloride
CID 157205487
tert-butyl 4-carbonofluoridoyl-4-methylpiperidine-1-carboxylate
CID 145108017
tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate
CID 121418713
tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate
CID 115047873
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-propan-2-ylpiperidine-4-carboxylic acid
CID 45073939
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
1-(3,3-dimethylbutan-2-yloxycarbonyl)-4-methylpiperidine-4-carboxylic acid
CID 151047348
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 9-hydroxy-9-methyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 155893365
tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate
CID 46835621

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 142839957) is ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is CC.CC(C)(C)OC(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is RQFGVXFMZHQAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4.C2H6/c1-11(2,3)17-10(16)13-7-5-12(4,6-8-13)9(14)15;1-2/h5-8H2,1-4H3,(H,14,15);1-2H3.
What are the key properties of ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid has a molecular weight of 273.37 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 142839957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).