methyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate

C16H21FN2O3 — CID 110352236

IUPACmethyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)C(C)Cc2ccccc2F)CC1
InChIInChI=1S/C16H21FN2O3/c1-12(11-13-5-3-4-6-14(13)17)15(20)18-7-9-19(10-8-18)16(21)22-2/h3-6,12H,7-11H2,1-2H3
InChIKeyRKLRPNAJDVSFTM-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.91
Rot. Bonds3

About methyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate

methyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate (PubChem CID 110352236) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is methyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate
PubChem CID110352236
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Namemethyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)C(C)Cc2ccccc2F)CC1
InChIInChI=1S/C16H21FN2O3/c1-12(11-13-5-3-4-6-14(13)17)15(20)18-7-9-19(10-8-18)16(21)22-2/h3-6,12H,7-11H2,1-2H3
InChIKeyRKLRPNAJDVSFTM-UHFFFAOYSA-N
XLogP1.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate 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

benzyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate
CID 110352237
3-(2-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110298802
3-(2-fluorophenyl)-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119546479
3-(2-fluorophenyl)-2-methyl-1-[4-(3-pyrrolidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 110617982
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(2-fluorophenyl)-2-methylpropan-1-one
CID 110352215
1-[3-(2-fluorophenyl)-2-methylpropanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168537
1-(1,4-diazepan-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-one;hydrochloride
CID 119418204
3-(2-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 71857988
1-(4-butylsulfonylpiperazin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-one
CID 110352245
3-(2-fluorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119493132
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-fluorophenyl)-2-methylpropan-1-one
CID 110298798
3-(2-fluorophenyl)-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
CID 110301268

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate (CID 110352236) is methyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)C(C)Cc2ccccc2F)CC1.
What is the InChIKey of methyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate?
The InChIKey is RKLRPNAJDVSFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-12(11-13-5-3-4-6-14(13)17)15(20)18-7-9-19(10-8-18)16(21)22-2/h3-6,12H,7-11H2,1-2H3.
What are the key properties of methyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate?
methyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate has a molecular weight of 308.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(2-fluorophenyl)-2-methylpropanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 110352236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).