methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate

C15H18FNO3 — CID 80719245

IUPACmethyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cccc(C)c2F)CC1
InChIInChI=1S/C15H18FNO3/c1-10-4-3-5-12(13(10)16)14(18)17-8-6-11(7-9-17)15(19)20-2/h3-5,11H,6-9H2,1-2H3
InChIKeyXVTJAXSHOMFAAW-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.16
Rot. Bonds2

About methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate

methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate (PubChem CID 80719245) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate
PubChem CID80719245
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Namemethyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cccc(C)c2F)CC1
InChIInChI=1S/C15H18FNO3/c1-10-4-3-5-12(13(10)16)14(18)17-8-6-11(7-9-17)15(19)20-2/h3-5,11H,6-9H2,1-2H3
InChIKeyXVTJAXSHOMFAAW-UHFFFAOYSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(2-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 60682146
methyl 1-(3-methyl-2-nitrobenzoyl)piperidine-4-carboxylate
CID 4997338
1-(2-fluoro-3-methylbenzoyl)piperidine-4-carbothioamide
CID 81477321
methyl 1-(2,3-dihydroxybenzoyl)piperidine-4-carboxylate
CID 114343728
[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81477977
methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate
CID 43404824
(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 81481180
(2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 81481697
1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid
CID 62650616
ethyl 1-[2-fluoro-3-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91730817
(2-fluoro-3-methylphenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115775406
methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51153897

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate (CID 80719245) is methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cccc(C)c2F)CC1.
What is the InChIKey of methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate?
The InChIKey is XVTJAXSHOMFAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-10-4-3-5-12(13(10)16)14(18)17-8-6-11(7-9-17)15(19)20-2/h3-5,11H,6-9H2,1-2H3.
What are the key properties of methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate?
methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate has a molecular weight of 279.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 80719245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).