1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

C13H24N2O4 — CID 106744091

IUPAC1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCOCC(C)N(C)C(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C13H24N2O4/c1-9-7-11(12(16)17)5-6-15(9)13(18)14(3)10(2)8-19-4/h9-11H,5-8H2,1-4H3,(H,16,17)
InChIKeySWSALKZAWDTSBD-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.26
Rot. Bonds4

About 1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744091) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106744091
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCOCC(C)N(C)C(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C13H24N2O4/c1-9-7-11(12(16)17)5-6-15(9)13(18)14(3)10(2)8-19-4/h9-11H,5-8H2,1-4H3,(H,16,17)
InChIKeySWSALKZAWDTSBD-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (CID 106744091) is 1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is COCC(C)N(C)C(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is SWSALKZAWDTSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9-7-11(12(16)17)5-6-15(9)13(18)14(3)10(2)8-19-4/h9-11H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methoxypropan-2-yl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).