methyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate

C14H17FN2O3 — CID 43707540

IUPACmethyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate
SMILESCOC(=O)c1cc(NC(=O)C2CCNCC2)ccc1F
InChIInChI=1S/C14H17FN2O3/c1-20-14(19)11-8-10(2-3-12(11)15)17-13(18)9-4-6-16-7-5-9/h2-3,8-9,16H,4-7H2,1H3,(H,17,18)
InChIKeyCASJSTLMYXPAEO-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.55
Rot. Bonds3

About methyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate

methyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate (PubChem CID 43707540) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is methyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate
PubChem CID43707540
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Namemethyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate
SMILESCOC(=O)c1cc(NC(=O)C2CCNCC2)ccc1F
InChIInChI=1S/C14H17FN2O3/c1-20-14(19)11-8-10(2-3-12(11)15)17-13(18)9-4-6-16-7-5-9/h2-3,8-9,16H,4-7H2,1H3,(H,17,18)
InChIKeyCASJSTLMYXPAEO-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
N-(3-acetamido-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119278283
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007085
N-(5-acetamido-2-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119279496
methyl 2-chloro-4-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119794128
methyl 2-(3-aminoprop-1-ynyl)-4-(piperidine-4-carbonylamino)benzoate
CID 168938767
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide
CID 60927755
methyl 2,4-difluoro-5-(pyrrolidine-3-carbonylamino)benzoate
CID 63006548
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 60926898
N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide
CID 43706556

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate?
The IUPAC name of methyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate (CID 43707540) is methyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate.
What is the SMILES notation for methyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate?
The canonical SMILES for methyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate is COC(=O)c1cc(NC(=O)C2CCNCC2)ccc1F.
What is the InChIKey of methyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate?
The InChIKey is CASJSTLMYXPAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-20-14(19)11-8-10(2-3-12(11)15)17-13(18)9-4-6-16-7-5-9/h2-3,8-9,16H,4-7H2,1H3,(H,17,18).
What are the key properties of methyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate?
methyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate has a molecular weight of 280.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate is sourced from PubChem (CID 43707540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).