4-ethyl-1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid

C12H20N2O5 — CID 55178350

IUPAC4-ethyl-1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCC(=O)OC)CC1
InChIInChI=1S/C12H20N2O5/c1-3-12(10(16)17)4-6-14(7-5-12)11(18)13-8-9(15)19-2/h3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyQJYSCFOKGCUGNQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.45
Rot. Bonds4

About 4-ethyl-1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid

4-ethyl-1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 55178350) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-ethyl-1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID55178350
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name4-ethyl-1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCC(=O)OC)CC1
InChIInChI=1S/C12H20N2O5/c1-3-12(10(16)17)4-6-14(7-5-12)11(18)13-8-9(15)19-2/h3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyQJYSCFOKGCUGNQ-UHFFFAOYSA-N
XLogP0.45
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid (CID 55178350) is 4-ethyl-1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)NCC(=O)OC)CC1.
What is the InChIKey of 4-ethyl-1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is QJYSCFOKGCUGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-3-12(10(16)17)4-6-14(7-5-12)11(18)13-8-9(15)19-2/h3-8H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 4-ethyl-1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid?
4-ethyl-1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 55178350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).