1-[(3-fluorophenyl)methyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one

C21H29FN2O4 — CID 24790303

IUPAC1-[(3-fluorophenyl)methyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one
SMILESCOCCOC1CCN(C(=O)C2CCC(=O)N(Cc3cccc(F)c3)C2)CC1
InChIInChI=1S/C21H29FN2O4/c1-27-11-12-28-19-7-9-23(10-8-19)21(26)17-5-6-20(25)24(15-17)14-16-3-2-4-18(22)13-16/h2-4,13,17,19H,5-12,14-15H2,1H3
InChIKeyTWJXAYFGGLSRFF-UHFFFAOYSA-N
MW392.47 g/mol
LogP2.22
Rot. Bonds7

About 1-[(3-fluorophenyl)methyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one

1-[(3-fluorophenyl)methyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 24790303) has the molecular formula C21H29FN2O4 and a molecular weight of 392.47 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one
PubChem CID24790303
Molecular FormulaC21H29FN2O4
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name1-[(3-fluorophenyl)methyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one
SMILESCOCCOC1CCN(C(=O)C2CCC(=O)N(Cc3cccc(F)c3)C2)CC1
InChIInChI=1S/C21H29FN2O4/c1-27-11-12-28-19-7-9-23(10-8-19)21(26)17-5-6-20(25)24(15-17)14-16-3-2-4-18(22)13-16/h2-4,13,17,19H,5-12,14-15H2,1H3
InChIKeyTWJXAYFGGLSRFF-UHFFFAOYSA-N
XLogP2.22
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(3-fluorophenyl)methyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one (CID 24790303) is 1-[(3-fluorophenyl)methyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one is COCCOC1CCN(C(=O)C2CCC(=O)N(Cc3cccc(F)c3)C2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is TWJXAYFGGLSRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O4/c1-27-11-12-28-19-7-9-23(10-8-19)21(26)17-5-6-20(25)24(15-17)14-16-3-2-4-18(22)13-16/h2-4,13,17,19H,5-12,14-15H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one?
1-[(3-fluorophenyl)methyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 392.47 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-5-[4-(2-methoxyethoxy)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24790303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).