ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)piperidine-1-carboxylate

C15H22N4O4 — CID 71789359

IUPACethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc3n(n2)CCCO3)CC1
InChIInChI=1S/C15H22N4O4/c1-2-22-15(21)18-7-4-11(5-8-18)16-14(20)12-10-13-19(17-12)6-3-9-23-13/h10-11H,2-9H2,1H3,(H,16,20)
InChIKeyJBQHLSPKIJEEDK-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.02
Rot. Bonds3

About ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)piperidine-1-carboxylate

ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)piperidine-1-carboxylate (PubChem CID 71789359) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)piperidine-1-carboxylate
PubChem CID71789359
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Nameethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc3n(n2)CCCO3)CC1
InChIInChI=1S/C15H22N4O4/c1-2-22-15(21)18-7-4-11(5-8-18)16-14(20)12-10-13-19(17-12)6-3-9-23-13/h10-11H,2-9H2,1H3,(H,16,20)
InChIKeyJBQHLSPKIJEEDK-UHFFFAOYSA-N
XLogP1.02
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)piperidine-1-carboxylate (CID 71789359) is ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc3n(n2)CCCO3)CC1.
What is the InChIKey of ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)piperidine-1-carboxylate?
The InChIKey is JBQHLSPKIJEEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-2-22-15(21)18-7-4-11(5-8-18)16-14(20)12-10-13-19(17-12)6-3-9-23-13/h10-11H,2-9H2,1H3,(H,16,20).
What are the key properties of ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)piperidine-1-carboxylate?
ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)piperidine-1-carboxylate has a molecular weight of 322.37 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 71789359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).