3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide

C23H30FN3O2 — CID 110313451

IUPAC3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide
SMILESCOCCN1CCN(c2ccc(NC(=O)CC(C)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C23H30FN3O2/c1-18(19-3-5-20(24)6-4-19)17-23(28)25-21-7-9-22(10-8-21)27-13-11-26(12-14-27)15-16-29-2/h3-10,18H,11-17H2,1-2H3,(H,25,28)
InChIKeyOXOVNQGSUROVJA-UHFFFAOYSA-N
MW399.51 g/mol
LogP3.73
Rot. Bonds8

About 3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide

3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide (PubChem CID 110313451) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide
PubChem CID110313451
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC Name3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide
SMILESCOCCN1CCN(c2ccc(NC(=O)CC(C)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C23H30FN3O2/c1-18(19-3-5-20(24)6-4-19)17-23(28)25-21-7-9-22(10-8-21)27-13-11-26(12-14-27)15-16-29-2/h3-10,18H,11-17H2,1-2H3,(H,25,28)
InChIKeyOXOVNQGSUROVJA-UHFFFAOYSA-N
XLogP3.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3545581
4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide
CID 110288174
4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105001
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N'-(2-methoxyethyl)oxamide
CID 42268631
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide
CID 110288167
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine
CID 62573942
N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide
CID 174859465
3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide
CID 110288135
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988165
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 6978065

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide (CID 110313451) is 3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide is COCCN1CCN(c2ccc(NC(=O)CC(C)c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide?
The InChIKey is OXOVNQGSUROVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2/c1-18(19-3-5-20(24)6-4-19)17-23(28)25-21-7-9-22(10-8-21)27-13-11-26(12-14-27)15-16-29-2/h3-10,18H,11-17H2,1-2H3,(H,25,28).
What are the key properties of 3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide?
3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide has a molecular weight of 399.51 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide is sourced from PubChem (CID 110313451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).