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

C22H28N4O3 — CID 134073412

IUPACN-methyl-1'-[3-(2-methylphenyl)propanoyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(C(=O)CCc3ccccc3C)CC2)O1
InChIInChI=1S/C22H28N4O3/c1-16-5-3-4-6-17(16)7-8-19(27)25-12-9-22(10-13-25)21-24-11-14-26(21)15-18(29-22)20(28)23-2/h3-6,11,14,18H,7-10,12-13,15H2,1-2H3,(H,23,28)
InChIKeyOAPVDMYZSOTKLH-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.79
Rot. Bonds4

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

N-methyl-1'-[3-(2-methylphenyl)propanoyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 134073412) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-methyl-1'-[3-(2-methylphenyl)propanoyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound NameN-methyl-1'-[3-(2-methylphenyl)propanoyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID134073412
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-methyl-1'-[3-(2-methylphenyl)propanoyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCNC(=O)C1Cn2ccnc2C2(CCN(C(=O)CCc3ccccc3C)CC2)O1
InChIInChI=1S/C22H28N4O3/c1-16-5-3-4-6-17(16)7-8-19(27)25-12-9-22(10-13-25)21-24-11-14-26(21)15-18(29-22)20(28)23-2/h3-6,11,14,18H,7-10,12-13,15H2,1-2H3,(H,23,28)
InChIKeyOAPVDMYZSOTKLH-UHFFFAOYSA-N
XLogP1.79
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1'-(2-methylfuran-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 118743979
N-methyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131649844
N-methyl-1'-methylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131654770
(6R)-N-methyl-1'-(oxane-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97385149
N-methyl-1'-[(5-methylfuran-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131639215
methyl 4-(6-carbamoylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl)-4-oxobutanoate
CID 134073417
(6S)-1'-(2-methylpropanoyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440127
1-N'-(2-methylphenyl)-6-N-pyridin-3-ylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 134076605
1'-(3-methylbutanoyl)-N-phenylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
CID 171705435
1-N',1-N'-dimethyl-6-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 133136205
1'-[(4-fluorophenyl)methyl]-N-methylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155838211
(6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440368

Frequently Asked Questions

What is the IUPAC name of N-methyl-1'-[3-(2-methylphenyl)propanoyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of N-methyl-1'-[3-(2-methylphenyl)propanoyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 134073412) is N-methyl-1'-[3-(2-methylphenyl)propanoyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for N-methyl-1'-[3-(2-methylphenyl)propanoyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for N-methyl-1'-[3-(2-methylphenyl)propanoyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is CNC(=O)C1Cn2ccnc2C2(CCN(C(=O)CCc3ccccc3C)CC2)O1.
What is the InChIKey of N-methyl-1'-[3-(2-methylphenyl)propanoyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is OAPVDMYZSOTKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-16-5-3-4-6-17(16)7-8-19(27)25-12-9-22(10-13-25)21-24-11-14-26(21)15-18(29-22)20(28)23-2/h3-6,11,14,18H,7-10,12-13,15H2,1-2H3,(H,23,28).
What are the key properties of N-methyl-1'-[3-(2-methylphenyl)propanoyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
N-methyl-1'-[3-(2-methylphenyl)propanoyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1'-[3-(2-methylphenyl)propanoyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 134073412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).