(4-cyclopropylpiperazin-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone

C19H20FN3O2 — CID 24771417

IUPAC(4-cyclopropylpiperazin-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1ccc(Oc2ccc(F)cc2)nc1)N1CCN(C2CC2)CC1
InChIInChI=1S/C19H20FN3O2/c20-15-2-6-17(7-3-15)25-18-8-1-14(13-21-18)19(24)23-11-9-22(10-12-23)16-4-5-16/h1-3,6-8,13,16H,4-5,9-12H2
InChIKeyDBOUZZFMKFAPLE-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.93
Rot. Bonds4

About (4-cyclopropylpiperazin-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone

(4-cyclopropylpiperazin-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone (PubChem CID 24771417) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone
PubChem CID24771417
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name(4-cyclopropylpiperazin-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1ccc(Oc2ccc(F)cc2)nc1)N1CCN(C2CC2)CC1
InChIInChI=1S/C19H20FN3O2/c20-15-2-6-17(7-3-15)25-18-8-1-14(13-21-18)19(24)23-11-9-22(10-12-23)16-4-5-16/h1-3,6-8,13,16H,4-5,9-12H2
InChIKeyDBOUZZFMKFAPLE-UHFFFAOYSA-N
XLogP2.93
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone (CID 24771417) is (4-cyclopropylpiperazin-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone is O=C(c1ccc(Oc2ccc(F)cc2)nc1)N1CCN(C2CC2)CC1.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone?
The InChIKey is DBOUZZFMKFAPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-15-2-6-17(7-3-15)25-18-8-1-14(13-21-18)19(24)23-11-9-22(10-12-23)16-4-5-16/h1-3,6-8,13,16H,4-5,9-12H2.
What are the key properties of (4-cyclopropylpiperazin-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone?
(4-cyclopropylpiperazin-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone has a molecular weight of 341.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-[6-(4-fluorophenoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 24771417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).