tert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate

C26H35N3O3 — CID 176681969

IUPACtert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCn1cc(CN2CCN(C(=O)OC(C)(C)C)CC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C26H35N3O3/c1-25(2,3)32-24(31)28-14-15-29(26(19-28)12-8-9-13-26)18-21-17-27(4)22(16-23(21)30)20-10-6-5-7-11-20/h5-7,10-11,16-17H,8-9,12-15,18-19H2,1-4H3
InChIKeyPPVQXGYLHWOYHK-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.42
Rot. Bonds3

About tert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate

tert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate (PubChem CID 176681969) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is tert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate
PubChem CID176681969
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Nametert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCn1cc(CN2CCN(C(=O)OC(C)(C)C)CC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C26H35N3O3/c1-25(2,3)32-24(31)28-14-15-29(26(19-28)12-8-9-13-26)18-21-17-27(4)22(16-23(21)30)20-10-6-5-7-11-20/h5-7,10-11,16-17H,8-9,12-15,18-19H2,1-4H3
InChIKeyPPVQXGYLHWOYHK-UHFFFAOYSA-N
XLogP4.42
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 6-[(1-methyl-4-oxo-1,6-naphthyridin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate
CID 176681845
tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate
CID 66888528
tert-butyl 6-[[6-(2-methylpyrazol-3-yl)-4-oxo-1H-pyridin-3-yl]methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate
CID 176681794
tert-butyl 1-benzyl-1,7-diazaspiro[4.4]nonane-7-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 157149578
tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride
CID 138109545
tert-butyl 5-benzyl-2,5,8-triazaspiro[3.5]nonane-2-carboxylate
CID 122235278
tert-butyl (10R)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 165141849
5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one;hydrochloride
CID 176681619
tert-butyl (4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate
CID 100623973
tert-butyl (4S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonane-8-carboxylate
CID 100623953
tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 151381307
tert-butyl 6-methyl-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 167717811

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate (CID 176681969) is tert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate is Cn1cc(CN2CCN(C(=O)OC(C)(C)C)CC23CCCC3)c(=O)cc1-c1ccccc1.
What is the InChIKey of tert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate?
The InChIKey is PPVQXGYLHWOYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-25(2,3)32-24(31)28-14-15-29(26(19-28)12-8-9-13-26)18-21-17-27(4)22(16-23(21)30)20-10-6-5-7-11-20/h5-7,10-11,16-17H,8-9,12-15,18-19H2,1-4H3.
What are the key properties of tert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate?
tert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate has a molecular weight of 437.58 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 176681969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).