methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate

C14H17FN2O3 — CID 103920674

IUPACmethyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(F)c(NC(=O)[C@@H]2CCCCN2)c1
InChIInChI=1S/C14H17FN2O3/c1-20-14(19)9-5-6-10(15)12(8-9)17-13(18)11-4-2-3-7-16-11/h5-6,8,11,16H,2-4,7H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyKHDKGDGENPTDFH-NSHDSACASA-N
MW280.30 g/mol
LogP1.69
Rot. Bonds3

About methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate

methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate (PubChem CID 103920674) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate
PubChem CID103920674
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Namemethyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(F)c(NC(=O)[C@@H]2CCCCN2)c1
InChIInChI=1S/C14H17FN2O3/c1-20-14(19)9-5-6-10(15)12(8-9)17-13(18)11-4-2-3-7-16-11/h5-6,8,11,16H,2-4,7H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyKHDKGDGENPTDFH-NSHDSACASA-N
XLogP1.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate 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 3-methyl-4-(piperidine-2-carbonylamino)benzoate
CID 43712698
(2R)-N-(2-fluoro-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 113264214
N-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 167828177
methyl 4-fluoro-3-[(4-hydroxypyrrolidine-2-carbonyl)amino]benzoate
CID 43703157
(2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 103808490
methyl 4-fluoro-3-(pyrrolidine-3-carbonylamino)benzoate
CID 63007212
N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide
CID 103586007
dimethyl 5-(piperidine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride
CID 119263110
N-(2-fluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119262310
3-(azepane-2-carbonylamino)-4-methoxybenzoic acid
CID 64568363
methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate
CID 66680324
N-(2,5-difluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 103586065

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate (CID 103920674) is methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate is COC(=O)c1ccc(F)c(NC(=O)[C@@H]2CCCCN2)c1.
What is the InChIKey of methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate?
The InChIKey is KHDKGDGENPTDFH-NSHDSACASA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-20-14(19)9-5-6-10(15)12(8-9)17-13(18)11-4-2-3-7-16-11/h5-6,8,11,16H,2-4,7H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate?
methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate has a molecular weight of 280.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 103920674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).