1-cyclopropyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one

C20H25FN2O3 — CID 24793193

IUPAC1-cyclopropyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one
SMILESO=C(C1CCC(=O)N(C2CC2)C1)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C20H25FN2O3/c21-15-2-1-3-18(12-15)26-17-8-10-22(11-9-17)20(25)14-4-7-19(24)23(13-14)16-5-6-16/h1-3,12,14,16-17H,4-11,13H2
InChIKeyAYNYIVDMBIKSNF-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.60
Rot. Bonds4

About 1-cyclopropyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one

1-cyclopropyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 24793193) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-cyclopropyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one
PubChem CID24793193
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name1-cyclopropyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one
SMILESO=C(C1CCC(=O)N(C2CC2)C1)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C20H25FN2O3/c21-15-2-1-3-18(12-15)26-17-8-10-22(11-9-17)20(25)14-4-7-19(24)23(13-14)16-5-6-16/h1-3,12,14,16-17H,4-11,13H2
InChIKeyAYNYIVDMBIKSNF-UHFFFAOYSA-N
XLogP2.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-cyclopropyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one (CID 24793193) is 1-cyclopropyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-cyclopropyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-cyclopropyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one is O=C(C1CCC(=O)N(C2CC2)C1)N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of 1-cyclopropyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is AYNYIVDMBIKSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c21-15-2-1-3-18(12-15)26-17-8-10-22(11-9-17)20(25)14-4-7-19(24)23(13-14)16-5-6-16/h1-3,12,14,16-17H,4-11,13H2.
What are the key properties of 1-cyclopropyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one?
1-cyclopropyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 360.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24793193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).