1-[4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-one

C20H29FN2O4 — CID 134350386

IUPAC1-[4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-one
SMILESCOCC(CC1(C)OCCO1)C(=O)N1CCN(c2cccc(F)c2)C(C)C1
InChIInChI=1S/C20H29FN2O4/c1-15-13-22(7-8-23(15)18-6-4-5-17(21)11-18)19(24)16(14-25-3)12-20(2)26-9-10-27-20/h4-6,11,15-16H,7-10,12-14H2,1-3H3
InChIKeyZHJQMNCQCNRTHG-UHFFFAOYSA-N
MW380.46 g/mol
LogP2.28
Rot. Bonds6

About 1-[4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-one

1-[4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-one (PubChem CID 134350386) has the molecular formula C20H29FN2O4 and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-[4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-one
PubChem CID134350386
Molecular FormulaC20H29FN2O4
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name1-[4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-one
SMILESCOCC(CC1(C)OCCO1)C(=O)N1CCN(c2cccc(F)c2)C(C)C1
InChIInChI=1S/C20H29FN2O4/c1-15-13-22(7-8-23(15)18-6-4-5-17(21)11-18)19(24)16(14-25-3)12-20(2)26-9-10-27-20/h4-6,11,15-16H,7-10,12-14H2,1-3H3
InChIKeyZHJQMNCQCNRTHG-UHFFFAOYSA-N
XLogP2.28
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-one 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

5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437714
5-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-N-[(2-methoxyethylamino)methyl]-4-methyl-5-oxopentanamide
CID 137467895
3-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-3-methylpyrrolidine-2,5-dione
CID 147941137
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120988772
5-[3-[4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437982
N-(3-fluorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 4521952
(5S)-5-[(2S)-3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione
CID 121438010
5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidin-4-one
CID 146266061
5-[3-[[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]methoxy]propyl]-5-methylimidazolidine-2,4-dione
CID 166781066
tert-butyl N-[(2R)-1-[(3R)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 97094565
2-(3-fluorophenyl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone
CID 110662498
N-[[(2S)-3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide
CID 154981349

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-one?
The IUPAC name of 1-[4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-one (CID 134350386) is 1-[4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-one is COCC(CC1(C)OCCO1)C(=O)N1CCN(c2cccc(F)c2)C(C)C1.
What is the InChIKey of 1-[4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-one?
The InChIKey is ZHJQMNCQCNRTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O4/c1-15-13-22(7-8-23(15)18-6-4-5-17(21)11-18)19(24)16(14-25-3)12-20(2)26-9-10-27-20/h4-6,11,15-16H,7-10,12-14H2,1-3H3.
What are the key properties of 1-[4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-one?
1-[4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-one has a molecular weight of 380.46 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-2-(methoxymethyl)-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-one is sourced from PubChem (CID 134350386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).