methyl 2,4-difluoro-5-[(1-propanoylpiperidine-3-carbonyl)amino]benzoate

C17H20F2N2O4 — CID 87008429

IUPACmethyl 2,4-difluoro-5-[(1-propanoylpiperidine-3-carbonyl)amino]benzoate
SMILESCCC(=O)N1CCCC(C(=O)Nc2cc(C(=O)OC)c(F)cc2F)C1
InChIInChI=1S/C17H20F2N2O4/c1-3-15(22)21-6-4-5-10(9-21)16(23)20-14-7-11(17(24)25-2)12(18)8-13(14)19/h7-8,10H,3-6,9H2,1-2H3,(H,20,23)
InChIKeyUVJLEISNRBMZNZ-UHFFFAOYSA-N
MW354.35 g/mol
LogP2.34
Rot. Bonds4

About methyl 2,4-difluoro-5-[(1-propanoylpiperidine-3-carbonyl)amino]benzoate

methyl 2,4-difluoro-5-[(1-propanoylpiperidine-3-carbonyl)amino]benzoate (PubChem CID 87008429) has the molecular formula C17H20F2N2O4 and a molecular weight of 354.35 g/mol. Its IUPAC name is methyl 2,4-difluoro-5-[(1-propanoylpiperidine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2,4-difluoro-5-[(1-propanoylpiperidine-3-carbonyl)amino]benzoate
PubChem CID87008429
Molecular FormulaC17H20F2N2O4
Molecular Weight354.35 g/mol
Exact Mass354.14
IUPAC Namemethyl 2,4-difluoro-5-[(1-propanoylpiperidine-3-carbonyl)amino]benzoate
SMILESCCC(=O)N1CCCC(C(=O)Nc2cc(C(=O)OC)c(F)cc2F)C1
InChIInChI=1S/C17H20F2N2O4/c1-3-15(22)21-6-4-5-10(9-21)16(23)20-14-7-11(17(24)25-2)12(18)8-13(14)19/h7-8,10H,3-6,9H2,1-2H3,(H,20,23)
InChIKeyUVJLEISNRBMZNZ-UHFFFAOYSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,4-difluoro-5-(pyrrolidine-3-carbonylamino)benzoate
CID 63006548
N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60529718
methyl 4-(cyclopropanecarbonylamino)-2-fluoro-5-hydroxybenzoate
CID 167021138
N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103
methyl 2,4-difluoro-5-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
CID 102778214
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527195
N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255391
methyl 2-fluoro-3-[(3S)-1-propanoylpiperidin-3-yl]benzoate
CID 176578685
(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121037
N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527480
N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55975169

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-difluoro-5-[(1-propanoylpiperidine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2,4-difluoro-5-[(1-propanoylpiperidine-3-carbonyl)amino]benzoate (CID 87008429) is methyl 2,4-difluoro-5-[(1-propanoylpiperidine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2,4-difluoro-5-[(1-propanoylpiperidine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2,4-difluoro-5-[(1-propanoylpiperidine-3-carbonyl)amino]benzoate is CCC(=O)N1CCCC(C(=O)Nc2cc(C(=O)OC)c(F)cc2F)C1.
What is the InChIKey of methyl 2,4-difluoro-5-[(1-propanoylpiperidine-3-carbonyl)amino]benzoate?
The InChIKey is UVJLEISNRBMZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O4/c1-3-15(22)21-6-4-5-10(9-21)16(23)20-14-7-11(17(24)25-2)12(18)8-13(14)19/h7-8,10H,3-6,9H2,1-2H3,(H,20,23).
What are the key properties of methyl 2,4-difluoro-5-[(1-propanoylpiperidine-3-carbonyl)amino]benzoate?
methyl 2,4-difluoro-5-[(1-propanoylpiperidine-3-carbonyl)amino]benzoate has a molecular weight of 354.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-difluoro-5-[(1-propanoylpiperidine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 87008429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).