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

C23H28FN3O3 — CID 78896173

IUPACN-(2,4-dimethylphenyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C23H28FN3O3/c1-16-4-9-21(17(2)14-16)25-23(29)18(3)26-10-12-27(13-11-26)22(28)15-30-20-7-5-19(24)6-8-20/h4-9,14,18H,10-13,15H2,1-3H3,(H,25,29)
InChIKeyZIZRBSKHALDOHS-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.99
Rot. Bonds6

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

N-(2,4-dimethylphenyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide (PubChem CID 78896173) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
PubChem CID78896173
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC NameN-(2,4-dimethylphenyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C23H28FN3O3/c1-16-4-9-21(17(2)14-16)25-23(29)18(3)26-10-12-27(13-11-26)22(28)15-30-20-7-5-19(24)6-8-20/h4-9,14,18H,10-13,15H2,1-3H3,(H,25,29)
InChIKeyZIZRBSKHALDOHS-UHFFFAOYSA-N
XLogP2.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 78896879
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-[(4-methylphenyl)methyl]propanamide
CID 78877519
(2R)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431310
ethyl 4-[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 9431101
N-(5-chloro-2-pyridinyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
CID 78896898
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9460338
(2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide
CID 36877338
1-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55838036
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 78896792
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

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide (CID 78896173) is N-(2,4-dimethylphenyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide is Cc1ccc(NC(=O)C(C)N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide?
The InChIKey is ZIZRBSKHALDOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-16-4-9-21(17(2)14-16)25-23(29)18(3)26-10-12-27(13-11-26)22(28)15-30-20-7-5-19(24)6-8-20/h4-9,14,18H,10-13,15H2,1-3H3,(H,25,29).
What are the key properties of N-(2,4-dimethylphenyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide?
N-(2,4-dimethylphenyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide has a molecular weight of 413.49 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 78896173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).