4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid

C14H24N2O4 — CID 114425828

IUPAC4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N(C)C2CCOC2C)C(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-9-4-6-16(12(8-9)13(17)18)14(19)15(3)11-5-7-20-10(11)2/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyYQICIBNEJHWNQM-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds2

About 4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid

4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 114425828) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID114425828
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N(C)C2CCOC2C)C(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-9-4-6-16(12(8-9)13(17)18)14(19)15(3)11-5-7-20-10(11)2/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyYQICIBNEJHWNQM-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid (CID 114425828) is 4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid is CC1CCN(C(=O)N(C)C2CCOC2C)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is YQICIBNEJHWNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9-4-6-16(12(8-9)13(17)18)14(19)15(3)11-5-7-20-10(11)2/h9-12H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid?
4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114425828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).