[(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone

C16H28N2O2 — CID 155869695

IUPAC[(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)CC1
InChIInChI=1S/C16H28N2O2/c1-12-3-5-13(6-4-12)16(19)18-8-7-15-14(11-18)17(2)9-10-20-15/h12-15H,3-11H2,1-2H3/t12?,13?,14-,15-/m0/s1
InChIKeyRSIPKHFGMXJDAX-WUCCLRPBSA-N
MW280.41 g/mol
LogP1.74
Rot. Bonds1

About [(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone

[(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone (PubChem CID 155869695) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is [(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone
PubChem CID155869695
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name[(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)CC1
InChIInChI=1S/C16H28N2O2/c1-12-3-5-13(6-4-12)16(19)18-8-7-15-14(11-18)17(2)9-10-20-15/h12-15H,3-11H2,1-2H3/t12?,13?,14-,15-/m0/s1
InChIKeyRSIPKHFGMXJDAX-WUCCLRPBSA-N
XLogP1.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone?
The IUPAC name of [(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone (CID 155869695) is [(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone.
What is the SMILES notation for [(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone?
The canonical SMILES for [(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)CC1.
What is the InChIKey of [(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone?
The InChIKey is RSIPKHFGMXJDAX-WUCCLRPBSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12-3-5-13(6-4-12)16(19)18-8-7-15-14(11-18)17(2)9-10-20-15/h12-15H,3-11H2,1-2H3/t12?,13?,14-,15-/m0/s1.
What are the key properties of [(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone?
[(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone has a molecular weight of 280.41 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 155869695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).