cyclopropyl-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)methanone

C16H27N3O2 — CID 162790561

IUPACcyclopropyl-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)methanone
SMILESCC(C)N1CC2COCCN2C2(CN(C(=O)C3CC3)C2)C1
InChIInChI=1S/C16H27N3O2/c1-12(2)17-7-14-8-21-6-5-19(14)16(9-17)10-18(11-16)15(20)13-3-4-13/h12-14H,3-11H2,1-2H3
InChIKeyNCSRUXDNCKVPFM-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.40
Rot. Bonds2

About cyclopropyl-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)methanone

cyclopropyl-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)methanone (PubChem CID 162790561) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is cyclopropyl-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)methanone
PubChem CID162790561
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Namecyclopropyl-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)methanone
SMILESCC(C)N1CC2COCCN2C2(CN(C(=O)C3CC3)C2)C1
InChIInChI=1S/C16H27N3O2/c1-12(2)17-7-14-8-21-6-5-19(14)16(9-17)10-18(11-16)15(20)13-3-4-13/h12-14H,3-11H2,1-2H3
InChIKeyNCSRUXDNCKVPFM-UHFFFAOYSA-N
XLogP0.40
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)methanone with MolForge

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Related Compounds

2,2-dimethyl-1-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)propan-1-one
CID 162790500
2-methyl-1-[1'-(2-methylpropyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]propan-1-one
CID 162827915
1-(1'-hexylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-2-methylpropan-1-one
CID 162790424
1-[4-(8-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)piperidin-1-yl]ethanone
CID 162809623
2-methoxy-1-(1'-methylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)ethanone
CID 162790792
[4-(oxan-4-yl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 131944774
2-methoxy-1-[1'-(oxetan-3-yl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]ethanone
CID 162790450
5-(oxan-4-yl)-2-propan-2-yl-2,5-diazaspiro[3.4]octane
CID 178173208
1-[4-(8-benzoylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)piperidin-1-yl]ethanone
CID 162790586
cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
CID 130296017
1-(8-benzoylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)-2,2-dimethylpropan-1-one
CID 162790517
1-[1'-[(2-hydroxyphenyl)methyl]spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]ethanone
CID 162790345

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)methanone?
The IUPAC name of cyclopropyl-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)methanone (CID 162790561) is cyclopropyl-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)methanone.
What is the SMILES notation for cyclopropyl-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)methanone?
The canonical SMILES for cyclopropyl-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)methanone is CC(C)N1CC2COCCN2C2(CN(C(=O)C3CC3)C2)C1.
What is the InChIKey of cyclopropyl-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)methanone?
The InChIKey is NCSRUXDNCKVPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)17-7-14-8-21-6-5-19(14)16(9-17)10-18(11-16)15(20)13-3-4-13/h12-14H,3-11H2,1-2H3.
What are the key properties of cyclopropyl-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)methanone?
cyclopropyl-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)methanone has a molecular weight of 293.41 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(8-propan-2-ylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-1'-yl)methanone is sourced from PubChem (CID 162790561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).