[2-(3,5-difluoroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

C18H18F2N4O3 — CID 55601869

IUPAC[2-(3,5-difluoroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate
SMILESO=C(COC(=O)C1CCCCN1c1ncccn1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C18H18F2N4O3/c19-12-8-13(20)10-14(9-12)23-16(25)11-27-17(26)15-4-1-2-7-24(15)18-21-5-3-6-22-18/h3,5-6,8-10,15H,1-2,4,7,11H2,(H,23,25)
InChIKeySFUBKXHTVURDBU-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.30
Rot. Bonds5

About [2-(3,5-difluoroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

[2-(3,5-difluoroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate (PubChem CID 55601869) has the molecular formula C18H18F2N4O3 and a molecular weight of 376.36 g/mol. Its IUPAC name is [2-(3,5-difluoroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate.

Molecular Properties

Compound Name[2-(3,5-difluoroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate
PubChem CID55601869
Molecular FormulaC18H18F2N4O3
Molecular Weight376.36 g/mol
Exact Mass376.13
IUPAC Name[2-(3,5-difluoroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate
SMILESO=C(COC(=O)C1CCCCN1c1ncccn1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C18H18F2N4O3/c19-12-8-13(20)10-14(9-12)23-16(25)11-27-17(26)15-4-1-2-7-24(15)18-21-5-3-6-22-18/h3,5-6,8-10,15H,1-2,4,7,11H2,(H,23,25)
InChIKeySFUBKXHTVURDBU-UHFFFAOYSA-N
XLogP2.30
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-bromo-4-methylanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 46601290
[2-(3,5-difluoroanilino)-2-oxoethyl] (2S)-1-methylsulfonylpyrrolidine-2-carboxylate
CID 55936848
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 55601875
[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 55601846
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 55601871
[2-(5-methylthiophen-2-yl)-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 38483346
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 55601876
naphthalen-1-ylmethyl 1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 46457559
[2-(4-fluoroanilino)-2-oxoethyl] (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylate
CID 40942785
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 38485472
(2-chloroquinolin-3-yl)methyl (2S)-1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 38485175
N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 83216321

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-difluoroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate?
The IUPAC name of [2-(3,5-difluoroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate (CID 55601869) is [2-(3,5-difluoroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate.
What is the SMILES notation for [2-(3,5-difluoroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate?
The canonical SMILES for [2-(3,5-difluoroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate is O=C(COC(=O)C1CCCCN1c1ncccn1)Nc1cc(F)cc(F)c1.
What is the InChIKey of [2-(3,5-difluoroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate?
The InChIKey is SFUBKXHTVURDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3/c19-12-8-13(20)10-14(9-12)23-16(25)11-27-17(26)15-4-1-2-7-24(15)18-21-5-3-6-22-18/h3,5-6,8-10,15H,1-2,4,7,11H2,(H,23,25).
What are the key properties of [2-(3,5-difluoroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate?
[2-(3,5-difluoroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate has a molecular weight of 376.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-difluoroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate is sourced from PubChem (CID 55601869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).