methyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate

C15H19FN2O3 — CID 61030182

IUPACmethyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate
SMILESCOC(=O)c1cc(F)ccc1NC(=O)CC1CCNCC1
InChIInChI=1S/C15H19FN2O3/c1-21-15(20)12-9-11(16)2-3-13(12)18-14(19)8-10-4-6-17-7-5-10/h2-3,9-10,17H,4-8H2,1H3,(H,18,19)
InChIKeySAHRGYFECZTGRV-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.94
Rot. Bonds4

About methyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate

methyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate (PubChem CID 61030182) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is methyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate
PubChem CID61030182
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Namemethyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate
SMILESCOC(=O)c1cc(F)ccc1NC(=O)CC1CCNCC1
InChIInChI=1S/C15H19FN2O3/c1-21-15(20)12-9-11(16)2-3-13(12)18-14(19)8-10-4-6-17-7-5-10/h2-3,9-10,17H,4-8H2,1H3,(H,18,19)
InChIKeySAHRGYFECZTGRV-UHFFFAOYSA-N
XLogP1.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-2-piperidin-4-ylacetamide
CID 24692446
methyl 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoate
CID 61028552
methyl 5-fluoro-2-(propanoylamino)benzoate
CID 60787953
methyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate
CID 60850707
methyl 2-[3-(cyclopropylamino)propanoylamino]-5-fluorobenzoate
CID 60867845
methyl 2-acetamido-5-fluorobenzoate
CID 60786102
N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119673443
3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 63188094
N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
CID 54910115
methyl 2-(4-chlorobutanoylamino)-5-fluorobenzoate
CID 63307711
methyl 2-(cyclopropylamino)-5-fluorobenzoate
CID 103439096
N-(2-methoxy-5-methylphenyl)-2-piperidin-4-ylacetamide
CID 24692557

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate?
The IUPAC name of methyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate (CID 61030182) is methyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate.
What is the SMILES notation for methyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate?
The canonical SMILES for methyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate is COC(=O)c1cc(F)ccc1NC(=O)CC1CCNCC1.
What is the InChIKey of methyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate?
The InChIKey is SAHRGYFECZTGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-21-15(20)12-9-11(16)2-3-13(12)18-14(19)8-10-4-6-17-7-5-10/h2-3,9-10,17H,4-8H2,1H3,(H,18,19).
What are the key properties of methyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate?
methyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate has a molecular weight of 294.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate is sourced from PubChem (CID 61030182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).