N-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide

C22H28FN3O — CID 11545168

IUPACN-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H28FN3O/c1-17(27)24-22(2,3)19-6-4-18(5-7-19)16-25-12-14-26(15-13-25)21-10-8-20(23)9-11-21/h4-11H,12-16H2,1-3H3,(H,24,27)
InChIKeyPBIOFJCNSTZZEQ-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.52
Rot. Bonds5

About N-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide

N-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide (PubChem CID 11545168) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is N-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide
PubChem CID11545168
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC NameN-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H28FN3O/c1-17(27)24-22(2,3)19-6-4-18(5-7-19)16-25-12-14-26(15-13-25)21-10-8-20(23)9-11-21/h4-11H,12-16H2,1-3H3,(H,24,27)
InChIKeyPBIOFJCNSTZZEQ-UHFFFAOYSA-N
XLogP3.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide (CID 11545168) is N-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide?
The InChIKey is PBIOFJCNSTZZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-17(27)24-22(2,3)19-6-4-18(5-7-19)16-25-12-14-26(15-13-25)21-10-8-20(23)9-11-21/h4-11H,12-16H2,1-3H3,(H,24,27).
What are the key properties of N-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide?
N-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide has a molecular weight of 369.48 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 11545168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).