3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide

C10H20N2O3 — CID 110311485

IUPAC3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCCC(CO)C1
InChIInChI=1S/C10H20N2O3/c1-15-6-4-11-10(14)12-5-2-3-9(7-12)8-13/h9,13H,2-8H2,1H3,(H,11,14)
InChIKeyMSGBTVAAURZIET-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.05
Rot. Bonds4

About 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide

3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide (PubChem CID 110311485) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide
PubChem CID110311485
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCCC(CO)C1
InChIInChI=1S/C10H20N2O3/c1-15-6-4-11-10(14)12-5-2-3-9(7-12)8-13/h9,13H,2-8H2,1H3,(H,11,14)
InChIKeyMSGBTVAAURZIET-UHFFFAOYSA-N
XLogP0.05
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide (CID 110311485) is 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide is COCCNC(=O)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide?
The InChIKey is MSGBTVAAURZIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-15-6-4-11-10(14)12-5-2-3-9(7-12)8-13/h9,13H,2-8H2,1H3,(H,11,14).
What are the key properties of 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide?
3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide has a molecular weight of 216.28 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(2-methoxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110311485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).