1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propan-1-one

C22H32FN3O3 — CID 78877413

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propan-1-one
SMILESCC1CC(C)CN(C(=O)C(C)N2CCN(C(=O)COc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C22H32FN3O3/c1-16-12-17(2)14-26(13-16)22(28)18(3)24-8-10-25(11-9-24)21(27)15-29-20-6-4-19(23)5-7-20/h4-7,16-18H,8-15H2,1-3H3
InChIKeyAFEWEINRLOLERS-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.24
Rot. Bonds5

About 1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propan-1-one

1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 78877413) has the molecular formula C22H32FN3O3 and a molecular weight of 405.51 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propan-1-one
PubChem CID78877413
Molecular FormulaC22H32FN3O3
Molecular Weight405.51 g/mol
Exact Mass405.24
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propan-1-one
SMILESCC1CC(C)CN(C(=O)C(C)N2CCN(C(=O)COc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C22H32FN3O3/c1-16-12-17(2)14-26(13-16)22(28)18(3)24-8-10-25(11-9-24)21(27)15-29-20-6-4-19(23)5-7-20/h4-7,16-18H,8-15H2,1-3H3
InChIKeyAFEWEINRLOLERS-UHFFFAOYSA-N
XLogP2.24
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 110708825
1-(3,5-dimethylpiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 112778015
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 110707653
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 78877519
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 78896879
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 1390511
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
N-(2,4-dimethylphenyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
CID 78896173
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 78896191

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propan-1-one (CID 78877413) is 1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propan-1-one is CC1CC(C)CN(C(=O)C(C)N2CCN(C(=O)COc3ccc(F)cc3)CC2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is AFEWEINRLOLERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O3/c1-16-12-17(2)14-26(13-16)22(28)18(3)24-8-10-25(11-9-24)21(27)15-29-20-6-4-19(23)5-7-20/h4-7,16-18H,8-15H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propan-1-one?
1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 405.51 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 78877413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).