2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide

C24H30FN3O3 — CID 78896879

IUPAC2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C24H30FN3O3/c1-16-13-17(2)23(18(3)14-16)26-24(30)19(4)27-9-11-28(12-10-27)22(29)15-31-21-7-5-20(25)6-8-21/h5-8,13-14,19H,9-12,15H2,1-4H3,(H,26,30)
InChIKeyGKPSOEHAMDHRDH-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.30
Rot. Bonds6

About 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide

2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 78896879) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID78896879
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC Name2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C24H30FN3O3/c1-16-13-17(2)23(18(3)14-16)26-24(30)19(4)27-9-11-28(12-10-27)22(29)15-31-21-7-5-20(25)6-8-21/h5-8,13-14,19H,9-12,15H2,1-4H3,(H,26,30)
InChIKeyGKPSOEHAMDHRDH-UHFFFAOYSA-N
XLogP3.30
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 78896792
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 78877519
N-(5-chloro-2-pyridinyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
CID 78896898
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84965791
N,N-dimethyl-4-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperazine-1-carboxamide
CID 86984071
1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 78877413
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 110708825
N-cyclopropyl-2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]propanamide
CID 51299600
N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55540699
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide (CID 78896879) is 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(C)c1.
What is the InChIKey of 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is GKPSOEHAMDHRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-16-13-17(2)23(18(3)14-16)26-24(30)19(4)27-9-11-28(12-10-27)22(29)15-31-21-7-5-20(25)6-8-21/h5-8,13-14,19H,9-12,15H2,1-4H3,(H,26,30).
What are the key properties of 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 427.52 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 78896879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).