methyl 4-(6-carbamoylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl)-4-oxobutanoate

C16H22N4O5 — CID 134073417

IUPACmethyl 4-(6-carbamoylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCC2(CC1)OC(C(N)=O)Cn1ccnc12
InChIInChI=1S/C16H22N4O5/c1-24-13(22)3-2-12(21)19-7-4-16(5-8-19)15-18-6-9-20(15)10-11(25-16)14(17)23/h6,9,11H,2-5,7-8,10H2,1H3,(H2,17,23)
InChIKeyFSHBXIRRYYLNNV-UHFFFAOYSA-N
MW350.38 g/mol
LogP-0.46
Rot. Bonds4

About methyl 4-(6-carbamoylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl)-4-oxobutanoate

methyl 4-(6-carbamoylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl)-4-oxobutanoate (PubChem CID 134073417) has the molecular formula C16H22N4O5 and a molecular weight of 350.38 g/mol. Its IUPAC name is methyl 4-(6-carbamoylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-(6-carbamoylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl)-4-oxobutanoate
PubChem CID134073417
Molecular FormulaC16H22N4O5
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Namemethyl 4-(6-carbamoylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCC2(CC1)OC(C(N)=O)Cn1ccnc12
InChIInChI=1S/C16H22N4O5/c1-24-13(22)3-2-12(21)19-7-4-16(5-8-19)15-18-6-9-20(15)10-11(25-16)14(17)23/h6,9,11H,2-5,7-8,10H2,1H3,(H2,17,23)
InChIKeyFSHBXIRRYYLNNV-UHFFFAOYSA-N
XLogP-0.46
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-carbamoylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl)-4-oxobutanoate?
The IUPAC name of methyl 4-(6-carbamoylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl)-4-oxobutanoate (CID 134073417) is methyl 4-(6-carbamoylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl)-4-oxobutanoate.
What is the SMILES notation for methyl 4-(6-carbamoylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl)-4-oxobutanoate?
The canonical SMILES for methyl 4-(6-carbamoylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl)-4-oxobutanoate is COC(=O)CCC(=O)N1CCC2(CC1)OC(C(N)=O)Cn1ccnc12.
What is the InChIKey of methyl 4-(6-carbamoylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl)-4-oxobutanoate?
The InChIKey is FSHBXIRRYYLNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5/c1-24-13(22)3-2-12(21)19-7-4-16(5-8-19)15-18-6-9-20(15)10-11(25-16)14(17)23/h6,9,11H,2-5,7-8,10H2,1H3,(H2,17,23).
What are the key properties of methyl 4-(6-carbamoylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl)-4-oxobutanoate?
methyl 4-(6-carbamoylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl)-4-oxobutanoate has a molecular weight of 350.38 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-carbamoylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl)-4-oxobutanoate is sourced from PubChem (CID 134073417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).