ethyl 4-[[2-(2-fluoroanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate

C19H22FN5O3 — CID 109261821

IUPACethyl 4-[[2-(2-fluoroanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cnc(Nc3ccccc3F)nc2)CC1
InChIInChI=1S/C19H22FN5O3/c1-2-28-19(27)25-9-7-14(8-10-25)23-17(26)13-11-21-18(22-12-13)24-16-6-4-3-5-15(16)20/h3-6,11-12,14H,2,7-10H2,1H3,(H,23,26)(H,21,22,24)
InChIKeyZWMCJWMRUFVDQA-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.71
Rot. Bonds5

About ethyl 4-[[2-(2-fluoroanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(2-fluoroanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 109261821) has the molecular formula C19H22FN5O3 and a molecular weight of 387.42 g/mol. Its IUPAC name is ethyl 4-[[2-(2-fluoroanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-fluoroanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
PubChem CID109261821
Molecular FormulaC19H22FN5O3
Molecular Weight387.42 g/mol
Exact Mass387.17
IUPAC Nameethyl 4-[[2-(2-fluoroanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cnc(Nc3ccccc3F)nc2)CC1
InChIInChI=1S/C19H22FN5O3/c1-2-28-19(27)25-9-7-14(8-10-25)23-17(26)13-11-21-18(22-12-13)24-16-6-4-3-5-15(16)20/h3-6,11-12,14H,2,7-10H2,1H3,(H,23,26)(H,21,22,24)
InChIKeyZWMCJWMRUFVDQA-UHFFFAOYSA-N
XLogP2.71
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[2-(2-ethylanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 109261818
ethyl 4-[[2-(4-methylanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 109261809
ethyl 4-[[5-(cyclopropylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109247316
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109263129
ethyl 4-[(6-methoxypyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 31844781
ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 109286246
ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-2-(hydroxymethyl)benzoyl]amino]piperidine-1-carboxylate
CID 126457115
ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 110451817
ethyl 4-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 109252241
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-fluoroanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(2-fluoroanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate (CID 109261821) is ethyl 4-[[2-(2-fluoroanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(2-fluoroanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(2-fluoroanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cnc(Nc3ccccc3F)nc2)CC1.
What is the InChIKey of ethyl 4-[[2-(2-fluoroanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is ZWMCJWMRUFVDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O3/c1-2-28-19(27)25-9-7-14(8-10-25)23-17(26)13-11-21-18(22-12-13)24-16-6-4-3-5-15(16)20/h3-6,11-12,14H,2,7-10H2,1H3,(H,23,26)(H,21,22,24).
What are the key properties of ethyl 4-[[2-(2-fluoroanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(2-fluoroanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 387.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-fluoroanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109261821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).