3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide

C18H26ClFN2O2 — CID 25452453

IUPAC3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H26ClFN2O2/c1-24-12-9-21-18(23)6-5-14-7-10-22(11-8-14)13-15-16(19)3-2-4-17(15)20/h2-4,14H,5-13H2,1H3,(H,21,23)
InChIKeyUCZADELYGBQXOY-UHFFFAOYSA-N
MW356.87 g/mol
LogP3.23
Rot. Bonds8

About 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide

3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 25452453) has the molecular formula C18H26ClFN2O2 and a molecular weight of 356.87 g/mol. Its IUPAC name is 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
PubChem CID25452453
Molecular FormulaC18H26ClFN2O2
Molecular Weight356.87 g/mol
Exact Mass356.17
IUPAC Name3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H26ClFN2O2/c1-24-12-9-21-18(23)6-5-14-7-10-22(11-8-14)13-15-16(19)3-2-4-17(15)20/h2-4,14H,5-13H2,1H3,(H,21,23)
InChIKeyUCZADELYGBQXOY-UHFFFAOYSA-N
XLogP3.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.87
LogP ≤ 53.23
H-Bond Donors ≤ 51
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-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide (CID 25452453) is 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCC1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is UCZADELYGBQXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClFN2O2/c1-24-12-9-21-18(23)6-5-14-7-10-22(11-8-14)13-15-16(19)3-2-4-17(15)20/h2-4,14H,5-13H2,1H3,(H,21,23).
What are the key properties of 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 356.87 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 25452453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).