2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide

C22H26FN3O3 — CID 120816990

IUPAC2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide
SMILESCC1(C)CN(C(=O)c2ccccc2OCC(=O)Nc2ccccc2F)CCC1N
InChIInChI=1S/C22H26FN3O3/c1-22(2)14-26(12-11-19(22)24)21(28)15-7-3-6-10-18(15)29-13-20(27)25-17-9-5-4-8-16(17)23/h3-10,19H,11-14,24H2,1-2H3,(H,25,27)
InChIKeyXMPLVUGISSBHQY-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.04
Rot. Bonds5

About 2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide

2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide (PubChem CID 120816990) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide
PubChem CID120816990
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide
SMILESCC1(C)CN(C(=O)c2ccccc2OCC(=O)Nc2ccccc2F)CCC1N
InChIInChI=1S/C22H26FN3O3/c1-22(2)14-26(12-11-19(22)24)21(28)15-7-3-6-10-18(15)29-13-20(27)25-17-9-5-4-8-16(17)23/h3-10,19H,11-14,24H2,1-2H3,(H,25,27)
InChIKeyXMPLVUGISSBHQY-UHFFFAOYSA-N
XLogP3.04
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide (CID 120816990) is 2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide is CC1(C)CN(C(=O)c2ccccc2OCC(=O)Nc2ccccc2F)CCC1N.
What is the InChIKey of 2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide?
The InChIKey is XMPLVUGISSBHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-22(2)14-26(12-11-19(22)24)21(28)15-7-3-6-10-18(15)29-13-20(27)25-17-9-5-4-8-16(17)23/h3-10,19H,11-14,24H2,1-2H3,(H,25,27).
What are the key properties of 2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide?
2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide has a molecular weight of 399.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 120816990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).