N-methyl-2-[2-oxo-1'-(4-propan-2-ylcyclohexyl)spiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]acetamide

C24H35N3O3 — CID 46879478

IUPACN-methyl-2-[2-oxo-1'-(4-propan-2-ylcyclohexyl)spiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]acetamide
SMILESCNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21
InChIInChI=1S/C24H35N3O3/c1-17(2)18-8-10-19(11-9-18)26-14-12-24(13-15-26)20-6-4-5-7-21(20)27(23(29)30-24)16-22(28)25-3/h4-7,17-19H,8-16H2,1-3H3,(H,25,28)
InChIKeyXSGGRILSKJJOSZ-UHFFFAOYSA-N
MW413.56 g/mol
LogP3.90
Rot. Bonds4

About N-methyl-2-[2-oxo-1'-(4-propan-2-ylcyclohexyl)spiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]acetamide

N-methyl-2-[2-oxo-1'-(4-propan-2-ylcyclohexyl)spiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]acetamide (PubChem CID 46879478) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-methyl-2-[2-oxo-1'-(4-propan-2-ylcyclohexyl)spiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-oxo-1'-(4-propan-2-ylcyclohexyl)spiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]acetamide
PubChem CID46879478
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC NameN-methyl-2-[2-oxo-1'-(4-propan-2-ylcyclohexyl)spiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]acetamide
SMILESCNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21
InChIInChI=1S/C24H35N3O3/c1-17(2)18-8-10-19(11-9-18)26-14-12-24(13-15-26)20-6-4-5-7-21(20)27(23(29)30-24)16-22(28)25-3/h4-7,17-19H,8-16H2,1-3H3,(H,25,28)
InChIKeyXSGGRILSKJJOSZ-UHFFFAOYSA-N
XLogP3.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

RS-102895
CID 10000456
N-(4-cyclohexylphenyl)-2-[4-(7-fluoro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
CID 10368752
N-(4-cyanophenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10455185
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide
CID 11555955
RS 102895 hydrochloride
CID 16759153
2-(4-Benzyl-piperidin-1-yl)-2-oxo-N-(2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-acetamide
CID 10475669
2-(1'-cyclodecyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl)-N-methylacetamide
CID 46879578
2-(1'-cycloheptyl-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl)-N-methylacetamide
CID 46879627
2-[1'-(4-tert-butylcyclohexyl)-2-oxospiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]-N-methylacetamide
CID 46879630
benzyl N-[1-[[1-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 85090477
benzyl N-[1-[[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-3,4-dioxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 122197352
4-fluoro-N-[(2S)-1-(7-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)propan-2-yl]benzamide
CID 166629664

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-oxo-1'-(4-propan-2-ylcyclohexyl)spiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-methyl-2-[2-oxo-1'-(4-propan-2-ylcyclohexyl)spiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]acetamide (CID 46879478) is N-methyl-2-[2-oxo-1'-(4-propan-2-ylcyclohexyl)spiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-oxo-1'-(4-propan-2-ylcyclohexyl)spiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-oxo-1'-(4-propan-2-ylcyclohexyl)spiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]acetamide is CNC(=O)CN1C(=O)OC2(CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21.
What is the InChIKey of N-methyl-2-[2-oxo-1'-(4-propan-2-ylcyclohexyl)spiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]acetamide?
The InChIKey is XSGGRILSKJJOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-17(2)18-8-10-19(11-9-18)26-14-12-24(13-15-26)20-6-4-5-7-21(20)27(23(29)30-24)16-22(28)25-3/h4-7,17-19H,8-16H2,1-3H3,(H,25,28).
What are the key properties of N-methyl-2-[2-oxo-1'-(4-propan-2-ylcyclohexyl)spiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]acetamide?
N-methyl-2-[2-oxo-1'-(4-propan-2-ylcyclohexyl)spiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]acetamide has a molecular weight of 413.56 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-oxo-1'-(4-propan-2-ylcyclohexyl)spiro[3,1-benzoxazine-4,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 46879478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).