[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone

C22H21FN2O2 — CID 51291844

IUPAC[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(C1CC1c1ccc(F)cc1)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H21FN2O2/c23-16-7-5-14(6-8-16)17-13-18(17)22(26)25-11-9-15(10-12-25)21-24-19-3-1-2-4-20(19)27-21/h1-8,15,17-18H,9-13H2
InChIKeyNOUJJGRATSNPCC-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.48
Rot. Bonds3

About [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone (PubChem CID 51291844) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
PubChem CID51291844
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(C1CC1c1ccc(F)cc1)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H21FN2O2/c23-16-7-5-14(6-8-16)17-13-18(17)22(26)25-11-9-15(10-12-25)21-24-19-3-1-2-4-20(19)27-21/h1-8,15,17-18H,9-13H2
InChIKeyNOUJJGRATSNPCC-UHFFFAOYSA-N
XLogP4.48
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone (CID 51291844) is [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone is O=C(C1CC1c1ccc(F)cc1)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone?
The InChIKey is NOUJJGRATSNPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c23-16-7-5-14(6-8-16)17-13-18(17)22(26)25-11-9-15(10-12-25)21-24-19-3-1-2-4-20(19)27-21/h1-8,15,17-18H,9-13H2.
What are the key properties of [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone?
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone has a molecular weight of 364.42 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 51291844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).