1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C16H24N4O3 — CID 118744711

IUPAC1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCC(C)CC(=O)N1CCC2(CC1)OC(C(N)=O)Cn1ccnc12
InChIInChI=1S/C16H24N4O3/c1-11(2)9-13(21)19-6-3-16(4-7-19)15-18-5-8-20(15)10-12(23-16)14(17)22/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H2,17,22)
InChIKeyVDCCLVDONPVLPS-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.63
Rot. Bonds3

About 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 118744711) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID118744711
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCC(C)CC(=O)N1CCC2(CC1)OC(C(N)=O)Cn1ccnc12
InChIInChI=1S/C16H24N4O3/c1-11(2)9-13(21)19-6-3-16(4-7-19)15-18-5-8-20(15)10-12(23-16)14(17)22/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H2,17,22)
InChIKeyVDCCLVDONPVLPS-UHFFFAOYSA-N
XLogP0.63
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 118744711) is 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CC(C)CC(=O)N1CCC2(CC1)OC(C(N)=O)Cn1ccnc12.
What is the InChIKey of 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is VDCCLVDONPVLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11(2)9-13(21)19-6-3-16(4-7-19)15-18-5-8-20(15)10-12(23-16)14(17)22/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H2,17,22).
What are the key properties of 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 118744711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).