3-[methoxy(methyl)carbamoyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid

C13H24N2O4 — CID 121473843

IUPAC3-[methoxy(methyl)carbamoyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid
SMILESCON(C)C(=O)C1CN(C(=O)O)CCC1CC(C)C
InChIInChI=1S/C13H24N2O4/c1-9(2)7-10-5-6-15(13(17)18)8-11(10)12(16)14(3)19-4/h9-11H,5-8H2,1-4H3,(H,17,18)
InChIKeySYWIPNXHTADCHZ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.67
Rot. Bonds4

About 3-[methoxy(methyl)carbamoyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid

3-[methoxy(methyl)carbamoyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid (PubChem CID 121473843) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[methoxy(methyl)carbamoyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[methoxy(methyl)carbamoyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid
PubChem CID121473843
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[methoxy(methyl)carbamoyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid
SMILESCON(C)C(=O)C1CN(C(=O)O)CCC1CC(C)C
InChIInChI=1S/C13H24N2O4/c1-9(2)7-10-5-6-15(13(17)18)8-11(10)12(16)14(3)19-4/h9-11H,5-8H2,1-4H3,(H,17,18)
InChIKeySYWIPNXHTADCHZ-UHFFFAOYSA-N
XLogP1.67
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)carbamoyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-[methoxy(methyl)carbamoyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid (CID 121473843) is 3-[methoxy(methyl)carbamoyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[methoxy(methyl)carbamoyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-[methoxy(methyl)carbamoyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid is CON(C)C(=O)C1CN(C(=O)O)CCC1CC(C)C.
What is the InChIKey of 3-[methoxy(methyl)carbamoyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid?
The InChIKey is SYWIPNXHTADCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)7-10-5-6-15(13(17)18)8-11(10)12(16)14(3)19-4/h9-11H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 3-[methoxy(methyl)carbamoyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid?
3-[methoxy(methyl)carbamoyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)carbamoyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 121473843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).