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

C10H16N2O5 — CID 43135722

IUPAC1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCOC(=O)CNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H16N2O5/c1-17-8(13)6-11-10(16)12-4-2-7(3-5-12)9(14)15/h7H,2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyBDGUTLFRUDGSNF-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.33
Rot. Bonds3

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

1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 43135722) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID43135722
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCOC(=O)CNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C10H16N2O5/c1-17-8(13)6-11-10(16)12-4-2-7(3-5-12)9(14)15/h7H,2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyBDGUTLFRUDGSNF-UHFFFAOYSA-N
XLogP-0.33
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid (CID 43135722) is 1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid is COC(=O)CNC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is BDGUTLFRUDGSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-17-8(13)6-11-10(16)12-4-2-7(3-5-12)9(14)15/h7H,2-6H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43135722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).