4-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[3,2-b][1,4]oxazin-3-one

C27H39N3O4 — CID 139375382

IUPAC4-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2C(=O)COc3cccnc32)C2(CCCC2)C1
InChIInChI=1S/C27H39N3O4/c1-20(16-21-8-3-2-4-9-21)25(32)29-15-13-27(33,26(18-29)11-5-6-12-26)19-30-23(31)17-34-22-10-7-14-28-24(22)30/h7,10,14,20-21,33H,2-6,8-9,11-13,15-19H2,1H3/t20-,27?/m1/s1
InChIKeyVPVYZSGTDGVLJF-ACVCQEAVSA-N
MW469.63 g/mol
LogP3.94
Rot. Bonds5

About 4-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[3,2-b][1,4]oxazin-3-one

4-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 139375382) has the molecular formula C27H39N3O4 and a molecular weight of 469.63 g/mol. Its IUPAC name is 4-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID139375382
Molecular FormulaC27H39N3O4
Molecular Weight469.63 g/mol
Exact Mass469.29
IUPAC Name4-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2C(=O)COc3cccnc32)C2(CCCC2)C1
InChIInChI=1S/C27H39N3O4/c1-20(16-21-8-3-2-4-9-21)25(32)29-15-13-27(33,26(18-29)11-5-6-12-26)19-30-23(31)17-34-22-10-7-14-28-24(22)30/h7,10,14,20-21,33H,2-6,8-9,11-13,15-19H2,1H3/t20-,27?/m1/s1
InChIKeyVPVYZSGTDGVLJF-ACVCQEAVSA-N
XLogP3.94
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[3,2-b][1,4]oxazin-3-one (CID 139375382) is 4-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[3,2-b][1,4]oxazin-3-one is C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(CN2C(=O)COc3cccnc32)C2(CCCC2)C1.
What is the InChIKey of 4-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is VPVYZSGTDGVLJF-ACVCQEAVSA-N. The full InChI is InChI=1S/C27H39N3O4/c1-20(16-21-8-3-2-4-9-21)25(32)29-15-13-27(33,26(18-29)11-5-6-12-26)19-30-23(31)17-34-22-10-7-14-28-24(22)30/h7,10,14,20-21,33H,2-6,8-9,11-13,15-19H2,1H3/t20-,27?/m1/s1.
What are the key properties of 4-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[3,2-b][1,4]oxazin-3-one?
4-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 469.63 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 139375382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).