4-methyl-1-[methyl(oxan-4-yl)carbamoyl]piperidine-4-carboxylic acid

C14H24N2O4 — CID 63124377

IUPAC4-methyl-1-[methyl(oxan-4-yl)carbamoyl]piperidine-4-carboxylic acid
SMILESCN(C(=O)N1CCC(C)(C(=O)O)CC1)C1CCOCC1
InChIInChI=1S/C14H24N2O4/c1-14(12(17)18)5-7-16(8-6-14)13(19)15(2)11-3-9-20-10-4-11/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyZFQHKGJNKYUOHK-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds2

About 4-methyl-1-[methyl(oxan-4-yl)carbamoyl]piperidine-4-carboxylic acid

4-methyl-1-[methyl(oxan-4-yl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 63124377) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-methyl-1-[methyl(oxan-4-yl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[methyl(oxan-4-yl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID63124377
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-methyl-1-[methyl(oxan-4-yl)carbamoyl]piperidine-4-carboxylic acid
SMILESCN(C(=O)N1CCC(C)(C(=O)O)CC1)C1CCOCC1
InChIInChI=1S/C14H24N2O4/c1-14(12(17)18)5-7-16(8-6-14)13(19)15(2)11-3-9-20-10-4-11/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyZFQHKGJNKYUOHK-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(oxan-4-yl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[methyl(oxan-4-yl)carbamoyl]piperidine-4-carboxylic acid (CID 63124377) is 4-methyl-1-[methyl(oxan-4-yl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[methyl(oxan-4-yl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[methyl(oxan-4-yl)carbamoyl]piperidine-4-carboxylic acid is CN(C(=O)N1CCC(C)(C(=O)O)CC1)C1CCOCC1.
What is the InChIKey of 4-methyl-1-[methyl(oxan-4-yl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is ZFQHKGJNKYUOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(12(17)18)5-7-16(8-6-14)13(19)15(2)11-3-9-20-10-4-11/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-1-[methyl(oxan-4-yl)carbamoyl]piperidine-4-carboxylic acid?
4-methyl-1-[methyl(oxan-4-yl)carbamoyl]piperidine-4-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(oxan-4-yl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63124377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).