ethyl 4-[(1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-yl)methyl]piperidine-1-carboxylate

C21H30N4O4 — CID 56953070

IUPACethyl 4-[(1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-yl)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CCC3(CC2)OC(=O)N(C)c2ncccc23)CC1
InChIInChI=1S/C21H30N4O4/c1-3-28-20(27)25-11-6-16(7-12-25)15-24-13-8-21(9-14-24)17-5-4-10-22-18(17)23(2)19(26)29-21/h4-5,10,16H,3,6-9,11-15H2,1-2H3
InChIKeyLADAHLLZQWQIQI-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.83
Rot. Bonds3

About ethyl 4-[(1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-yl)methyl]piperidine-1-carboxylate

ethyl 4-[(1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-yl)methyl]piperidine-1-carboxylate (PubChem CID 56953070) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is ethyl 4-[(1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-yl)methyl]piperidine-1-carboxylate
PubChem CID56953070
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Nameethyl 4-[(1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-yl)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CCC3(CC2)OC(=O)N(C)c2ncccc23)CC1
InChIInChI=1S/C21H30N4O4/c1-3-28-20(27)25-11-6-16(7-12-25)15-24-13-8-21(9-14-24)17-5-4-10-22-18(17)23(2)19(26)29-21/h4-5,10,16H,3,6-9,11-15H2,1-2H3
InChIKeyLADAHLLZQWQIQI-UHFFFAOYSA-N
XLogP2.83
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-yl)methyl]piperidine-1-carboxylate (CID 56953070) is ethyl 4-[(1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-yl)methyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(CN2CCC3(CC2)OC(=O)N(C)c2ncccc23)CC1.
What is the InChIKey of ethyl 4-[(1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-yl)methyl]piperidine-1-carboxylate?
The InChIKey is LADAHLLZQWQIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-3-28-20(27)25-11-6-16(7-12-25)15-24-13-8-21(9-14-24)17-5-4-10-22-18(17)23(2)19(26)29-21/h4-5,10,16H,3,6-9,11-15H2,1-2H3.
What are the key properties of ethyl 4-[(1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-yl)methyl]piperidine-1-carboxylate?
ethyl 4-[(1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-yl)methyl]piperidine-1-carboxylate has a molecular weight of 402.50 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 56953070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).