1-[2-(3-fluorophenyl)ethyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one

C23H33FN2O3 — CID 24818959

IUPAC1-[2-(3-fluorophenyl)ethyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one
SMILESCOCCCC1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C23H33FN2O3/c1-29-15-3-5-18-9-12-25(13-10-18)23(28)20-7-8-22(27)26(17-20)14-11-19-4-2-6-21(24)16-19/h2,4,6,16,18,20H,3,5,7-15,17H2,1H3
InChIKeyGQKPYGVZDYWUSS-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.27
Rot. Bonds8

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

1-[2-(3-fluorophenyl)ethyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 24818959) has the molecular formula C23H33FN2O3 and a molecular weight of 404.53 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID24818959
Molecular FormulaC23H33FN2O3
Molecular Weight404.53 g/mol
Exact Mass404.25
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one
SMILESCOCCCC1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1
InChIInChI=1S/C23H33FN2O3/c1-29-15-3-5-18-9-12-25(13-10-18)23(28)20-7-8-22(27)26(17-20)14-11-19-4-2-6-21(24)16-19/h2,4,6,16,18,20H,3,5,7-15,17H2,1H3
InChIKeyGQKPYGVZDYWUSS-UHFFFAOYSA-N
XLogP3.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.27
H-Bond Donors ≤ 50
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 1-[2-(3-fluorophenyl)ethyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one (CID 24818959) is 1-[2-(3-fluorophenyl)ethyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one is COCCCC1CCN(C(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)CC1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is GQKPYGVZDYWUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN2O3/c1-29-15-3-5-18-9-12-25(13-10-18)23(28)20-7-8-22(27)26(17-20)14-11-19-4-2-6-21(24)16-19/h2,4,6,16,18,20H,3,5,7-15,17H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one?
1-[2-(3-fluorophenyl)ethyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 404.53 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-5-[4-(3-methoxypropyl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24818959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).