[4-[(4-fluorophenyl)methoxy]-3-(2-methylprop-2-enyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone

C26H33FN2O2 — CID 18914201

IUPAC[4-[(4-fluorophenyl)methoxy]-3-(2-methylprop-2-enyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESC=C(C)Cc1cc(C(=O)N2CCN(CC(C)C)CC2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C26H33FN2O2/c1-19(2)15-23-16-22(26(30)29-13-11-28(12-14-29)17-20(3)4)7-10-25(23)31-18-21-5-8-24(27)9-6-21/h5-10,16,20H,1,11-15,17-18H2,2-4H3
InChIKeyREUNYMJVVGIOHH-UHFFFAOYSA-N
MW424.56 g/mol
LogP4.94
Rot. Bonds8

About [4-[(4-fluorophenyl)methoxy]-3-(2-methylprop-2-enyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone

[4-[(4-fluorophenyl)methoxy]-3-(2-methylprop-2-enyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 18914201) has the molecular formula C26H33FN2O2 and a molecular weight of 424.56 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methoxy]-3-(2-methylprop-2-enyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methoxy]-3-(2-methylprop-2-enyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID18914201
Molecular FormulaC26H33FN2O2
Molecular Weight424.56 g/mol
Exact Mass424.25
IUPAC Name[4-[(4-fluorophenyl)methoxy]-3-(2-methylprop-2-enyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESC=C(C)Cc1cc(C(=O)N2CCN(CC(C)C)CC2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C26H33FN2O2/c1-19(2)15-23-16-22(26(30)29-13-11-28(12-14-29)17-20(3)4)7-10-25(23)31-18-21-5-8-24(27)9-6-21/h5-10,16,20H,1,11-15,17-18H2,2-4H3
InChIKeyREUNYMJVVGIOHH-UHFFFAOYSA-N
XLogP4.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [4-[(4-fluorophenyl)methoxy]-3-(2-methylprop-2-enyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone 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

4-(4-(((2S)-2-(3,5-Dimethylphenyl)-1-pyrrolidinyl)methyl)phenoxy)-3-fluorobenzamide
CID 44129648
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide hydrochloride
CID 14783871
2-{[3-(Piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218485
2-{[4-Fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218486
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
5-Fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218495
(4-Methoxyphenyl)(4-phenylazepan-1-yl)methanone
CID 45269321
(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone
CID 99794612
15-[2-(Dimethylamino)ethyl]-10-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10090039
{3-[4-(2-Isopropoxy-phenyl)-piperidin-1-ylmethyl]-phenyl}-piperidin-1-yl-methanone
CID 10409903
(4-Cyclopropyl-1,4-diazepan-1-yl)-[4-(3-fluorophenoxy)-3-(methylaminomethyl)phenyl]methanone
CID 24855918

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methoxy]-3-(2-methylprop-2-enyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[(4-fluorophenyl)methoxy]-3-(2-methylprop-2-enyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 18914201) is [4-[(4-fluorophenyl)methoxy]-3-(2-methylprop-2-enyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(4-fluorophenyl)methoxy]-3-(2-methylprop-2-enyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[(4-fluorophenyl)methoxy]-3-(2-methylprop-2-enyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone is C=C(C)Cc1cc(C(=O)N2CCN(CC(C)C)CC2)ccc1OCc1ccc(F)cc1.
What is the InChIKey of [4-[(4-fluorophenyl)methoxy]-3-(2-methylprop-2-enyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is REUNYMJVVGIOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O2/c1-19(2)15-23-16-22(26(30)29-13-11-28(12-14-29)17-20(3)4)7-10-25(23)31-18-21-5-8-24(27)9-6-21/h5-10,16,20H,1,11-15,17-18H2,2-4H3.
What are the key properties of [4-[(4-fluorophenyl)methoxy]-3-(2-methylprop-2-enyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone?
[4-[(4-fluorophenyl)methoxy]-3-(2-methylprop-2-enyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 424.56 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methoxy]-3-(2-methylprop-2-enyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 18914201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).