(6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

C16H24N4O4 — CID 97440368

IUPAC(6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCOCC(=O)N1CCC2(CC1)O[C@H](C(=O)N(C)C)Cn1ccnc12
InChIInChI=1S/C16H24N4O4/c1-18(2)14(22)12-10-20-9-6-17-15(20)16(24-12)4-7-19(8-5-16)13(21)11-23-3/h6,9,12H,4-5,7-8,10-11H2,1-3H3/t12-/m0/s1
InChIKeyWRYKRBZMDGJIDE-LBPRGKRZSA-N
MW336.39 g/mol
LogP-0.17
Rot. Bonds3

About (6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide

(6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (PubChem CID 97440368) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is (6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name(6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
PubChem CID97440368
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name(6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
SMILESCOCC(=O)N1CCC2(CC1)O[C@H](C(=O)N(C)C)Cn1ccnc12
InChIInChI=1S/C16H24N4O4/c1-18(2)14(22)12-10-20-9-6-17-15(20)16(24-12)4-7-19(8-5-16)13(21)11-23-3/h6,9,12H,4-5,7-8,10-11H2,1-3H3/t12-/m0/s1
InChIKeyWRYKRBZMDGJIDE-LBPRGKRZSA-N
XLogP-0.17
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-1-[6-(pyrrolidine-1-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155850147
N,N-dimethyl-1'-(1,2-oxazole-5-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131640794
methyl 4-(6-carbamoylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl)-4-oxobutanoate
CID 134073417
(6S)-1'-(4-fluorophenyl)sulfonyl-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440360
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
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
(6S)-N,N-diethyl-1'-(pyrazine-2-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360915
(6S)-N,N-dimethyl-1'-pyridin-3-ylsulfonylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97440370
(6S)-1'-(cyclopropylmethyl)-N,N-diethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360923
(6R)-N,N-diethyl-1'-(thiophene-3-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97360912
N,N-diethyl-1'-(5-fluoropyrimidin-2-yl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 131656579
N-methyl-1'-[3-(2-methylphenyl)propanoyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 134073412

Frequently Asked Questions

What is the IUPAC name of (6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The IUPAC name of (6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide (CID 97440368) is (6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide.
What is the SMILES notation for (6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The canonical SMILES for (6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is COCC(=O)N1CCC2(CC1)O[C@H](C(=O)N(C)C)Cn1ccnc12.
What is the InChIKey of (6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
The InChIKey is WRYKRBZMDGJIDE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-18(2)14(22)12-10-20-9-6-17-15(20)16(24-12)4-7-19(8-5-16)13(21)11-23-3/h6,9,12H,4-5,7-8,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of (6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide?
(6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide has a molecular weight of 336.39 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 97440368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).