[3-(ethoxymethyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C21H25FN2O3 — CID 36840255

IUPAC[3-(ethoxymethyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCOCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1OC
InChIInChI=1S/C21H25FN2O3/c1-3-27-15-17-14-16(8-9-20(17)26-2)21(25)24-12-10-23(11-13-24)19-7-5-4-6-18(19)22/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyQZGZGZSLYGVJOI-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.33
Rot. Bonds6

About [3-(ethoxymethyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[3-(ethoxymethyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 36840255) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is [3-(ethoxymethyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(ethoxymethyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID36840255
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name[3-(ethoxymethyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCOCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1OC
InChIInChI=1S/C21H25FN2O3/c1-3-27-15-17-14-16(8-9-20(17)26-2)21(25)24-12-10-23(11-13-24)19-7-5-4-6-18(19)22/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyQZGZGZSLYGVJOI-UHFFFAOYSA-N
XLogP3.33
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(ethoxymethyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)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-(3-ethyl-4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 110802032
[4-(2-fluorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 1089294
(3,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanethione
CID 3706873
[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate
CID 798609
1,3-benzodioxol-5-yl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 798083
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3148007
(4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 112759903
[3-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3610985
[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 4035009
N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 2972000
1-[[3-(ethoxymethyl)-4-methoxybenzoyl]amino]-3-(2-fluorophenyl)thiourea
CID 9085178

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(ethoxymethyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 36840255) is [3-(ethoxymethyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(ethoxymethyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(ethoxymethyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is CCOCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1OC.
What is the InChIKey of [3-(ethoxymethyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is QZGZGZSLYGVJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-3-27-15-17-14-16(8-9-20(17)26-2)21(25)24-12-10-23(11-13-24)19-7-5-4-6-18(19)22/h4-9,14H,3,10-13,15H2,1-2H3.
What are the key properties of [3-(ethoxymethyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[3-(ethoxymethyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 372.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxymethyl)-4-methoxyphenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 36840255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).