1'-methyl-2-methylidenespiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]

C13H17N3O — CID 134278064

IUPAC1'-methyl-2-methylidenespiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]
SMILESC=C1Nc2ncccc2C2(CCN(C)CC2)O1
InChIInChI=1S/C13H17N3O/c1-10-15-12-11(4-3-7-14-12)13(17-10)5-8-16(2)9-6-13/h3-4,7H,1,5-6,8-9H2,2H3,(H,14,15)
InChIKeyLIMHYVQBVPNVGQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.92
Rot. Bonds

About 1'-methyl-2-methylidenespiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]

1'-methyl-2-methylidenespiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine] (PubChem CID 134278064) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1'-methyl-2-methylidenespiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine].

Molecular Properties

Compound Name1'-methyl-2-methylidenespiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]
PubChem CID134278064
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1'-methyl-2-methylidenespiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]
SMILESC=C1Nc2ncccc2C2(CCN(C)CC2)O1
InChIInChI=1S/C13H17N3O/c1-10-15-12-11(4-3-7-14-12)13(17-10)5-8-16(2)9-6-13/h3-4,7H,1,5-6,8-9H2,2H3,(H,14,15)
InChIKeyLIMHYVQBVPNVGQ-UHFFFAOYSA-N
XLogP1.92
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-tert-butylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
CID 59165789
1'-methylspiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one;1'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
CID 158564314
1'-methylspiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]
CID 90842756
ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 176678113
4,4-dimethyl-1H-pyrido[2,3-d][1,3]oxazin-2-one
CID 68620164
1'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
CID 70997318
6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one
CID 21055565
6-chloro-1'-methylspiro[2-benzofuran-3,4'-piperidine]-1-one
CID 67962414
spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-2-one
CID 90379626
1'-oxidospiro[7H-furo[3,4-b]pyridine-5,3'-pyrrolidine]
CID 87227698
3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;molecular hydrogen
CID 143776107
2,2-dimethyl-3,4-dihydropyrido[3,2-b][1,4]oxazine
CID 13196546

Frequently Asked Questions

What is the IUPAC name of 1'-methyl-2-methylidenespiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]?
The IUPAC name of 1'-methyl-2-methylidenespiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine] (CID 134278064) is 1'-methyl-2-methylidenespiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine].
What is the SMILES notation for 1'-methyl-2-methylidenespiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]?
The canonical SMILES for 1'-methyl-2-methylidenespiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine] is C=C1Nc2ncccc2C2(CCN(C)CC2)O1.
What is the InChIKey of 1'-methyl-2-methylidenespiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]?
The InChIKey is LIMHYVQBVPNVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-15-12-11(4-3-7-14-12)13(17-10)5-8-16(2)9-6-13/h3-4,7H,1,5-6,8-9H2,2H3,(H,14,15).
What are the key properties of 1'-methyl-2-methylidenespiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]?
1'-methyl-2-methylidenespiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine] has a molecular weight of 231.30 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-2-methylidenespiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine] is sourced from PubChem (CID 134278064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).