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

C14H19N3O4 — CID 90536745

IUPACmethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc3n(n2)CCCO3)CC1
InChIInChI=1S/C14H19N3O4/c1-20-14(19)10-3-6-16(7-4-10)13(18)11-9-12-17(15-11)5-2-8-21-12/h9-10H,2-8H2,1H3
InChIKeyBAGWTWAUMQAPID-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.69
Rot. Bonds2

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

methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-4-carboxylate (PubChem CID 90536745) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-4-carboxylate
PubChem CID90536745
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Namemethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc3n(n2)CCCO3)CC1
InChIInChI=1S/C14H19N3O4/c1-20-14(19)10-3-6-16(7-4-10)13(18)11-9-12-17(15-11)5-2-8-21-12/h9-10H,2-8H2,1H3
InChIKeyBAGWTWAUMQAPID-UHFFFAOYSA-N
XLogP0.69
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-4-carboxylate (CID 90536745) is methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cc3n(n2)CCCO3)CC1.
What is the InChIKey of methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is BAGWTWAUMQAPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-20-14(19)10-3-6-16(7-4-10)13(18)11-9-12-17(15-11)5-2-8-21-12/h9-10H,2-8H2,1H3.
What are the key properties of methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-4-carboxylate?
methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 90536745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).