methyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate

C15H19FN2O3 — CID 61118032

IUPACmethyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(N)c(C)c(F)c2)CC1
InChIInChI=1S/C15H19FN2O3/c1-9-12(16)7-11(8-13(9)17)14(19)18-5-3-10(4-6-18)15(20)21-2/h7-8,10H,3-6,17H2,1-2H3
InChIKeyDEUKPMHFQPLEFT-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.74
Rot. Bonds2

About methyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate

methyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate (PubChem CID 61118032) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is methyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate
PubChem CID61118032
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Namemethyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(N)c(C)c(F)c2)CC1
InChIInChI=1S/C15H19FN2O3/c1-9-12(16)7-11(8-13(9)17)14(19)18-5-3-10(4-6-18)15(20)21-2/h7-8,10H,3-6,17H2,1-2H3
InChIKeyDEUKPMHFQPLEFT-UHFFFAOYSA-N
XLogP1.74
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61114338
(3-amino-5-fluoro-4-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61218225
methyl 1-(4-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 61041768
(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone
CID 54927621
(3-amino-5-fluoro-4-methylphenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166231
methyl 1-(3-amino-4-chlorobenzoyl)piperidine-4-carboxylate
CID 61042064
4-(3-amino-5-fluoro-4-methylbenzoyl)piperazine-1-sulfonamide
CID 61140079
methyl 1-(5-amino-2,4-dimethylbenzoyl)piperidine-4-carboxylate
CID 102705142
methyl 1-(3-amino-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate
CID 171933184
(3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 60861512
(3-amino-5-fluoro-4-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 60862196
(3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 60862183

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate (CID 61118032) is methyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cc(N)c(C)c(F)c2)CC1.
What is the InChIKey of methyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate?
The InChIKey is DEUKPMHFQPLEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9-12(16)7-11(8-13(9)17)14(19)18-5-3-10(4-6-18)15(20)21-2/h7-8,10H,3-6,17H2,1-2H3.
What are the key properties of methyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate?
methyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate has a molecular weight of 294.33 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 61118032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).