methyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate

C15H19FN2O3 — CID 63213140

IUPACmethyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C15H19FN2O3/c1-11-9-12(3-4-13(11)16)15(20)18-7-5-17(6-8-18)10-14(19)21-2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyNIMLHSJWHYERQV-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.06
Rot. Bonds3

About methyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate

methyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate (PubChem CID 63213140) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is methyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate
PubChem CID63213140
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Namemethyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C15H19FN2O3/c1-11-9-12(3-4-13(11)16)15(20)18-7-5-17(6-8-18)10-14(19)21-2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyNIMLHSJWHYERQV-UHFFFAOYSA-N
XLogP1.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate 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

methyl 2-[4-(3-amino-4-fluorobenzoyl)piperazin-1-yl]acetate
CID 61114419
2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetic acid
CID 63209941
methyl 4-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 110801297
methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
CID 60732940
methyl 2-[4-(3-amino-4-methylbenzoyl)piperazin-1-yl]acetate
CID 60953023
2-[4-(4-fluoro-3-methylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 56825777
[4-(4-aminobutyl)piperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 63209284
methyl 2-[4-(4-amino-3-hydroxybenzoyl)piperazin-1-yl]acetate
CID 107074672
[4-(4-fluoro-3-methylbenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110808179
(4-fluoro-3-methylphenyl)-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110816500
(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119032534
(4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63213419

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate (CID 63213140) is methyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate is COC(=O)CN1CCN(C(=O)c2ccc(F)c(C)c2)CC1.
What is the InChIKey of methyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate?
The InChIKey is NIMLHSJWHYERQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-11-9-12(3-4-13(11)16)15(20)18-7-5-17(6-8-18)10-14(19)21-2/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of methyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate?
methyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate has a molecular weight of 294.33 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate is sourced from PubChem (CID 63213140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).