1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(methylamino)phenyl]ethanone

C24H28FN3O3 — CID 10025444

IUPAC1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(methylamino)phenyl]ethanone
SMILESCNc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C24H28FN3O3/c1-16(29)18-4-7-22(21(14-18)26-2)30-13-3-10-28-11-8-17(9-12-28)24-20-6-5-19(25)15-23(20)31-27-24/h4-7,14-15,17,26H,3,8-13H2,1-2H3
InChIKeyQUUYXXXDMOJYBU-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.86
Rot. Bonds8

About 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(methylamino)phenyl]ethanone

1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(methylamino)phenyl]ethanone (PubChem CID 10025444) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(methylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(methylamino)phenyl]ethanone
PubChem CID10025444
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(methylamino)phenyl]ethanone
SMILESCNc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C24H28FN3O3/c1-16(29)18-4-7-22(21(14-18)26-2)30-13-3-10-28-11-8-17(9-12-28)24-20-6-5-19(25)15-23(20)31-27-24/h4-7,14-15,17,26H,3,8-13H2,1-2H3
InChIKeyQUUYXXXDMOJYBU-UHFFFAOYSA-N
XLogP4.86
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(methylamino)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-4-methoxy-phenylamine
CID 10046480
2-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-phenylamine
CID 10317012
1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methyl-phenyl)-ethanone
CID 10319381
N-(5-Acetyl-2-{3-[4-(6-fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-phenyl)-acetamide
CID 10321674
N-(3-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-4-methoxy-phenyl)-acetamide
CID 10343244
1-[4-[3-[4-(6-Fluoro-1,2-benzisoxazol-yl)-1-piperidinyl]propoxy]-2-methylphenyl]-ethanone
CID 10386866
1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propylamino}-3-methoxy-phenyl)-ethanone
CID 10387699
(2-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-phenyl)-methyl-amine
CID 10407614
1-(3-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-phenyl)-ethanone
CID 10430858
1-[4-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)1-piperidinyl]ethoxy]-3-methoxyphenyl]ethanone
CID 10431812
6-Fluoro-3-{1-[3-(2-methoxy-phenoxy)-propyl]-piperidin-4-yl}-benzo[d]isoxazole
CID 10452601
1-[4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy)phenyl]ethanone
CID 10453356

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(methylamino)phenyl]ethanone?
The IUPAC name of 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(methylamino)phenyl]ethanone (CID 10025444) is 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(methylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(methylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(methylamino)phenyl]ethanone is CNc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(methylamino)phenyl]ethanone?
The InChIKey is QUUYXXXDMOJYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-16(29)18-4-7-22(21(14-18)26-2)30-13-3-10-28-11-8-17(9-12-28)24-20-6-5-19(25)15-23(20)31-27-24/h4-7,14-15,17,26H,3,8-13H2,1-2H3.
What are the key properties of 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(methylamino)phenyl]ethanone?
1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(methylamino)phenyl]ethanone has a molecular weight of 425.50 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(methylamino)phenyl]ethanone is sourced from PubChem (CID 10025444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).