methyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate

C21H23N3O3 — CID 126434233

IUPACmethyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)nc1
InChIInChI=1S/C21H23N3O3/c1-27-20(26)16-7-8-18(22-14-16)24-11-9-21(10-12-24)13-17(19(25)23-21)15-5-3-2-4-6-15/h2-8,14,17H,9-13H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyHMRHPRNZNYCKNI-QGZVFWFLSA-N
MW365.43 g/mol
LogP2.51
Rot. Bonds3

About methyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate

methyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate (PubChem CID 126434233) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is methyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate
PubChem CID126434233
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Namemethyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)nc1
InChIInChI=1S/C21H23N3O3/c1-27-20(26)16-7-8-18(22-14-16)24-11-9-21(10-12-24)13-17(19(25)23-21)15-5-3-2-4-6-15/h2-8,14,17H,9-13H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyHMRHPRNZNYCKNI-QGZVFWFLSA-N
XLogP2.51
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate (CID 126434233) is methyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate is COC(=O)c1ccc(N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)nc1.
What is the InChIKey of methyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate?
The InChIKey is HMRHPRNZNYCKNI-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-20(26)16-7-8-18(22-14-16)24-11-9-21(10-12-24)13-17(19(25)23-21)15-5-3-2-4-6-15/h2-8,14,17H,9-13H2,1H3,(H,23,25)/t17-/m1/s1.
What are the key properties of methyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate?
methyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3R)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylate is sourced from PubChem (CID 126434233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).