[6-(4-fluorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C19H22FN3O2 — CID 24771017

IUPAC[6-(4-fluorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)nc2)CC1
InChIInChI=1S/C19H22FN3O2/c1-14(2)22-9-11-23(12-10-22)19(24)15-3-8-18(21-13-15)25-17-6-4-16(20)5-7-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeySFWADPRZACXNIG-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.18
Rot. Bonds4

About [6-(4-fluorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[6-(4-fluorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 24771017) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is [6-(4-fluorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-fluorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID24771017
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name[6-(4-fluorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)nc2)CC1
InChIInChI=1S/C19H22FN3O2/c1-14(2)22-9-11-23(12-10-22)19(24)15-3-8-18(21-13-15)25-17-6-4-16(20)5-7-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeySFWADPRZACXNIG-UHFFFAOYSA-N
XLogP3.18
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-(4-fluorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 24771017) is [6-(4-fluorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(4-fluorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(4-fluorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)nc2)CC1.
What is the InChIKey of [6-(4-fluorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is SFWADPRZACXNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-14(2)22-9-11-23(12-10-22)19(24)15-3-8-18(21-13-15)25-17-6-4-16(20)5-7-17/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [6-(4-fluorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[6-(4-fluorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 343.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24771017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).