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

C15H21N3O4 — CID 90537023

IUPACethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cnn3c2OCCC3)C1
InChIInChI=1S/C15H21N3O4/c1-2-21-15(20)11-5-3-6-17(10-11)13(19)12-9-16-18-7-4-8-22-14(12)18/h9,11H,2-8,10H2,1H3
InChIKeyLBIJJRYIAQUWAW-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.08
Rot. Bonds3

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

ethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidine-3-carboxylate (PubChem CID 90537023) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidine-3-carboxylate
PubChem CID90537023
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Nameethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cnn3c2OCCC3)C1
InChIInChI=1S/C15H21N3O4/c1-2-21-15(20)11-5-3-6-17(10-11)13(19)12-9-16-18-7-4-8-22-14(12)18/h9,11H,2-8,10H2,1H3
InChIKeyLBIJJRYIAQUWAW-UHFFFAOYSA-N
XLogP1.08
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 71789426
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(4-(tetrahydrofuran-2-carbonyl)piperazin-1-yl)methanone
CID 71789468
tert-butyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperazine-1-carboxylate
CID 71789500
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(piperidin-1-yl)methanone
CID 71789424
methyl 1-(3-methoxy-1-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylate
CID 16925248
ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamido)piperidine-1-carboxylate
CID 71789463
methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate
CID 71789514
(4-oxa-1,7a-diaza-6,7-dihydro-5H-inden-3-yl){4-[(S)-perhydro-2-furoyl]-1-piperazinyl}methanone
CID 97104402
ethyl 1-(3-ethoxy-1-ethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylate
CID 16802431
methyl 1-(3-ethoxy-1-ethyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylate
CID 16802432
ethyl 1-(3-propoxy-1-propyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylate
CID 16802436
methyl 1-(3-propoxy-1-propyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxylate
CID 16802437

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidine-3-carboxylate (CID 90537023) is ethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cnn3c2OCCC3)C1.
What is the InChIKey of ethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is LBIJJRYIAQUWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-2-21-15(20)11-5-3-6-17(10-11)13(19)12-9-16-18-7-4-8-22-14(12)18/h9,11H,2-8,10H2,1H3.
What are the key properties of ethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidine-3-carboxylate?
ethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 90537023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).