N-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C18H28N4O3 — CID 133141653

IUPACN-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(CC3CCOCC3)CC2)O1
InChIInChI=1S/C18H28N4O3/c1-19-16(23)15-13-22-9-6-20-17(22)18(25-15)4-7-21(8-5-18)12-14-2-10-24-11-3-14/h6,9,14-15H,2-5,7-8,10-13H2,1H3,(H,19,23)
InChIKeyQPMRHKSADUUIHW-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.75
Rot. Bonds3

About N-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

N-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 133141653) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound NameN-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID133141653
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(CC3CCOCC3)CC2)O1
InChIInChI=1S/C18H28N4O3/c1-19-16(23)15-13-22-9-6-20-17(22)18(25-15)4-7-21(8-5-18)12-14-2-10-24-11-3-14/h6,9,14-15H,2-5,7-8,10-13H2,1H3,(H,19,23)
InChIKeyQPMRHKSADUUIHW-UHFFFAOYSA-N
XLogP0.75
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of N-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 133141653) is N-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for N-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for N-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CNC(=O)C1Cn2ccnc2C2(CCN(CC3CCOCC3)CC2)O1.
What is the InChIKey of N-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is QPMRHKSADUUIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-19-16(23)15-13-22-9-6-20-17(22)18(25-15)4-7-21(8-5-18)12-14-2-10-24-11-3-14/h6,9,14-15H,2-5,7-8,10-13H2,1H3,(H,19,23).
What are the key properties of N-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
N-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 133141653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).