1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide

C17H27N5O3 — CID 134077208

IUPAC1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESCC(C)NC(=O)C1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1
InChIInChI=1S/C17H27N5O3/c1-12(2)19-14(23)13-11-22-10-7-18-15(22)17(25-13)5-8-21(9-6-17)16(24)20(3)4/h7,10,12-13H,5-6,8-9,11H2,1-4H3,(H,19,23)
InChIKeyWJYZDFHCFLCGBU-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.78
Rot. Bonds2

About 1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide

1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (PubChem CID 134077208) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.

Molecular Properties

Compound Name1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
PubChem CID134077208
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESCC(C)NC(=O)C1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1
InChIInChI=1S/C17H27N5O3/c1-12(2)19-14(23)13-11-22-10-7-18-15(22)17(25-13)5-8-21(9-6-17)16(24)20(3)4/h7,10,12-13H,5-6,8-9,11H2,1-4H3,(H,19,23)
InChIKeyWJYZDFHCFLCGBU-UHFFFAOYSA-N
XLogP0.78
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The IUPAC name of 1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (CID 134077208) is 1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.
What is the SMILES notation for 1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The canonical SMILES for 1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is CC(C)NC(=O)C1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1.
What is the InChIKey of 1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The InChIKey is WJYZDFHCFLCGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-12(2)19-14(23)13-11-22-10-7-18-15(22)17(25-13)5-8-21(9-6-17)16(24)20(3)4/h7,10,12-13H,5-6,8-9,11H2,1-4H3,(H,19,23).
What are the key properties of 1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide has a molecular weight of 349.44 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-dimethyl-6-N-propan-2-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is sourced from PubChem (CID 134077208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).