1-[bis(2-methoxyethyl)carbamoyl]piperidine-4-carboxylic acid

C13H24N2O5 — CID 15310852

IUPAC1-[bis(2-methoxyethyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCOCCN(CCOC)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O5/c1-19-9-7-15(8-10-20-2)13(18)14-5-3-11(4-6-14)12(16)17/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyULFPCPWWECRAMM-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.50
Rot. Bonds7

About 1-[bis(2-methoxyethyl)carbamoyl]piperidine-4-carboxylic acid

1-[bis(2-methoxyethyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 15310852) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-[bis(2-methoxyethyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[bis(2-methoxyethyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID15310852
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name1-[bis(2-methoxyethyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCOCCN(CCOC)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O5/c1-19-9-7-15(8-10-20-2)13(18)14-5-3-11(4-6-14)12(16)17/h11H,3-10H2,1-2H3,(H,16,17)
InChIKeyULFPCPWWECRAMM-UHFFFAOYSA-N
XLogP0.50
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methoxyethyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[bis(2-methoxyethyl)carbamoyl]piperidine-4-carboxylic acid (CID 15310852) is 1-[bis(2-methoxyethyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[bis(2-methoxyethyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[bis(2-methoxyethyl)carbamoyl]piperidine-4-carboxylic acid is COCCN(CCOC)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[bis(2-methoxyethyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is ULFPCPWWECRAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-19-9-7-15(8-10-20-2)13(18)14-5-3-11(4-6-14)12(16)17/h11H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 1-[bis(2-methoxyethyl)carbamoyl]piperidine-4-carboxylic acid?
1-[bis(2-methoxyethyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 288.34 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methoxyethyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 15310852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).