ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate

C19H22FN5O3 — CID 109286246

IUPACethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cnc(C(=O)Nc3ccccc3F)cn2)CC1
InChIInChI=1S/C19H22FN5O3/c1-2-28-19(27)25-9-7-13(8-10-25)23-17-12-21-16(11-22-17)18(26)24-15-6-4-3-5-14(15)20/h3-6,11-13H,2,7-10H2,1H3,(H,22,23)(H,24,26)
InChIKeyRNOPOFQVDDKHTB-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.90
Rot. Bonds5

About ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate

ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 109286246) has the molecular formula C19H22FN5O3 and a molecular weight of 387.42 g/mol. Its IUPAC name is ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate
PubChem CID109286246
Molecular FormulaC19H22FN5O3
Molecular Weight387.42 g/mol
Exact Mass387.17
IUPAC Nameethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cnc(C(=O)Nc3ccccc3F)cn2)CC1
InChIInChI=1S/C19H22FN5O3/c1-2-28-19(27)25-9-7-13(8-10-25)23-17-12-21-16(11-22-17)18(26)24-15-6-4-3-5-14(15)20/h3-6,11-13H,2,7-10H2,1H3,(H,22,23)(H,24,26)
InChIKeyRNOPOFQVDDKHTB-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 109286243
ethyl 4-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 113014181
ethyl 4-[[5-(3-methoxypropylcarbamoyl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 109276069
ethyl 4-[[5-[(2-ethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109160203
ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109280917
ethyl 4-[[2-(2-fluoroanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 109261821
ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109292458
5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109271849
ethyl 4-[[6-[(2,6-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194103
ethyl 4-[[6-[(2,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]piperidine-1-carboxylate
CID 109194100
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
CID 43758190
ethyl 4-[[6-[(3-fluorophenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109352750

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate (CID 109286246) is ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cnc(C(=O)Nc3ccccc3F)cn2)CC1.
What is the InChIKey of ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is RNOPOFQVDDKHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O3/c1-2-28-19(27)25-9-7-13(8-10-25)23-17-12-21-16(11-22-17)18(26)24-15-6-4-3-5-14(15)20/h3-6,11-13H,2,7-10H2,1H3,(H,22,23)(H,24,26).
What are the key properties of ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 387.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]pyrazin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109286246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).