1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide

C16H24ClN3O3 — CID 47918136

IUPAC1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide
SMILESCOCCOCCNC(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C16H24ClN3O3/c1-22-10-11-23-9-6-18-16(21)13-4-7-20(8-5-13)15-3-2-14(17)12-19-15/h2-3,12-13H,4-11H2,1H3,(H,18,21)
InChIKeyGLFGRNHWNMBMIH-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.73
Rot. Bonds8

About 1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide

1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide (PubChem CID 47918136) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide
PubChem CID47918136
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide
SMILESCOCCOCCNC(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C16H24ClN3O3/c1-22-10-11-23-9-6-18-16(21)13-4-7-20(8-5-13)15-3-2-14(17)12-19-15/h2-3,12-13H,4-11H2,1H3,(H,18,21)
InChIKeyGLFGRNHWNMBMIH-UHFFFAOYSA-N
XLogP1.73
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide (CID 47918136) is 1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide is COCCOCCNC(=O)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is GLFGRNHWNMBMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3/c1-22-10-11-23-9-6-18-16(21)13-4-7-20(8-5-13)15-3-2-14(17)12-19-15/h2-3,12-13H,4-11H2,1H3,(H,18,21).
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide?
1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 341.84 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 47918136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).