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

C14H26N2O4 — CID 104598114

IUPAC1-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCN(C(=O)N1CCCCC1(C)C(=O)O)C(C)COC
InChIInChI=1S/C14H26N2O4/c1-5-15(11(2)10-20-4)13(19)16-9-7-6-8-14(16,3)12(17)18/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyPUVXEOJETFFPIF-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.79
Rot. Bonds5

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

1-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104598114) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104598114
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCN(C(=O)N1CCCCC1(C)C(=O)O)C(C)COC
InChIInChI=1S/C14H26N2O4/c1-5-15(11(2)10-20-4)13(19)16-9-7-6-8-14(16,3)12(17)18/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyPUVXEOJETFFPIF-UHFFFAOYSA-N
XLogP1.79
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597887
1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598109
1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597994
2-methyl-1-[methyl(2-propan-2-yloxyethyl)carbamoyl]piperidine-2-carboxylic acid
CID 104598372
1-(1-methoxypentan-2-ylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104598283
1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431043
2-methyl-1-(3-methylpentan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104598027
1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104595518
1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598019
1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597906
1-(2-aminopropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597343
2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid
CID 104595515

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (CID 104598114) is 1-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is CCN(C(=O)N1CCCCC1(C)C(=O)O)C(C)COC.
What is the InChIKey of 1-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is PUVXEOJETFFPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-15(11(2)10-20-4)13(19)16-9-7-6-8-14(16,3)12(17)18/h11H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 1-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
1-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104598114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).