ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one

C17H28N2O2 — CID 176678113

IUPACethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
SMILESCC.CC.CN1CCC2(CC1)OC(=O)Nc1ccccc12
InChIInChI=1S/C13H16N2O2.2C2H6/c1-15-8-6-13(7-9-15)10-4-2-3-5-11(10)14-12(16)17-13;2*1-2/h2-5H,6-9H2,1H3,(H,14,16);2*1-2H3
InChIKeyYFIXXBPQUNVRBM-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.22
Rot. Bonds

About ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one

ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one (PubChem CID 176678113) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one.

Molecular Properties

Compound Nameethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
PubChem CID176678113
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nameethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
SMILESCC.CC.CN1CCC2(CC1)OC(=O)Nc1ccccc12
InChIInChI=1S/C13H16N2O2.2C2H6/c1-15-8-6-13(7-9-15)10-4-2-3-5-11(10)14-12(16)17-13;2*1-2/h2-5H,6-9H2,1H3,(H,14,16);2*1-2H3
InChIKeyYFIXXBPQUNVRBM-UHFFFAOYSA-N
XLogP4.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-propan-2-ylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 21303276
N-methyl-2-oxo-N-(2-piperidin-1-ylethyl)spiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide
CID 44579550
4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylic acid
CID 68577908
1'-[(3-methoxyphenyl)methyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 155902039
1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride
CID 16759153
1'-[1-oxo-1-(2,4,5-trimethoxyphenyl)propan-2-yl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 13243640
propyl 4-(2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59258498
benzyl 2-oxospiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-1'-carboxylate
CID 134794145
6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one
CID 21055565
ethane;1'-methylspiro[1H-2,1-benzothiazole-3,4'-piperidine] 2,2-dioxide
CID 176678082
1'-[3-(trifluoromethyl)phenyl]sulfonylspiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-2-one
CID 134796513
4,5-bis(ethenyl)-9-methyl-1-oxa-3,9-diazaspiro[5.5]undec-4-en-2-one;ethane
CID 143293657

Frequently Asked Questions

What is the IUPAC name of ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The IUPAC name of ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one (CID 176678113) is ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one.
What is the SMILES notation for ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The canonical SMILES for ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one is CC.CC.CN1CCC2(CC1)OC(=O)Nc1ccccc12.
What is the InChIKey of ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The InChIKey is YFIXXBPQUNVRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.2C2H6/c1-15-8-6-13(7-9-15)10-4-2-3-5-11(10)14-12(16)17-13;2*1-2/h2-5H,6-9H2,1H3,(H,14,16);2*1-2H3.
What are the key properties of ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one has a molecular weight of 292.42 g/mol, XLogP of 4.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one is sourced from PubChem (CID 176678113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).