[1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone

C20H28FN3O — CID 126892183

IUPAC[1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESCC(C)N1CCN(C2CN(C(=O)C3(c4ccc(F)cc4)CC3)C2)CC1
InChIInChI=1S/C20H28FN3O/c1-15(2)22-9-11-23(12-10-22)18-13-24(14-18)19(25)20(7-8-20)16-3-5-17(21)6-4-16/h3-6,15,18H,7-14H2,1-2H3
InChIKeyOXIAIJKPOWWVHZ-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.09
Rot. Bonds4

About [1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone

[1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone (PubChem CID 126892183) has the molecular formula C20H28FN3O and a molecular weight of 345.46 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
PubChem CID126892183
Molecular FormulaC20H28FN3O
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESCC(C)N1CCN(C2CN(C(=O)C3(c4ccc(F)cc4)CC3)C2)CC1
InChIInChI=1S/C20H28FN3O/c1-15(2)22-9-11-23(12-10-22)18-13-24(14-18)19(25)20(7-8-20)16-3-5-17(21)6-4-16/h3-6,15,18H,7-14H2,1-2H3
InChIKeyOXIAIJKPOWWVHZ-UHFFFAOYSA-N
XLogP2.09
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone (CID 126892183) is [1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone is CC(C)N1CCN(C2CN(C(=O)C3(c4ccc(F)cc4)CC3)C2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
The InChIKey is OXIAIJKPOWWVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O/c1-15(2)22-9-11-23(12-10-22)18-13-24(14-18)19(25)20(7-8-20)16-3-5-17(21)6-4-16/h3-6,15,18H,7-14H2,1-2H3.
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone?
[1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone has a molecular weight of 345.46 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 126892183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).