1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide

C16H25N5O3 — CID 118744714

IUPAC1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESCC(C)CNC(=O)N1CCC2(CC1)OC(C(N)=O)Cn1ccnc12
InChIInChI=1S/C16H25N5O3/c1-11(2)9-19-15(23)20-6-3-16(4-7-20)14-18-5-8-21(14)10-12(24-16)13(17)22/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H2,17,22)(H,19,23)
InChIKeyYZCLKFNCAMFRDU-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.42
Rot. Bonds3

About 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide

1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (PubChem CID 118744714) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
PubChem CID118744714
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
SMILESCC(C)CNC(=O)N1CCC2(CC1)OC(C(N)=O)Cn1ccnc12
InChIInChI=1S/C16H25N5O3/c1-11(2)9-19-15(23)20-6-3-16(4-7-20)14-18-5-8-21(14)10-12(24-16)13(17)22/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H2,17,22)(H,19,23)
InChIKeyYZCLKFNCAMFRDU-UHFFFAOYSA-N
XLogP0.42
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The IUPAC name of 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide (CID 118744714) is 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide.
What is the SMILES notation for 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The canonical SMILES for 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is CC(C)CNC(=O)N1CCC2(CC1)OC(C(N)=O)Cn1ccnc12.
What is the InChIKey of 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
The InChIKey is YZCLKFNCAMFRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-11(2)9-19-15(23)20-6-3-16(4-7-20)14-18-5-8-21(14)10-12(24-16)13(17)22/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H2,17,22)(H,19,23).
What are the key properties of 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide?
1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide has a molecular weight of 335.41 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide is sourced from PubChem (CID 118744714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).