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

C23H32N4O3 — CID 176681845

IUPACtert-butyl 6-[(1-methyl-4-oxo-1,6-naphthyridin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCn1cc(CN2CCN(C(=O)OC(C)(C)C)CC23CCCC3)c(=O)c2cnccc21
InChIInChI=1S/C23H32N4O3/c1-22(2,3)30-21(29)26-11-12-27(23(16-26)8-5-6-9-23)15-17-14-25(4)19-7-10-24-13-18(19)20(17)28/h7,10,13-14H,5-6,8-9,11-12,15-16H2,1-4H3
InChIKeyBOHLZPGLISTUMS-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.30
Rot. Bonds2

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

tert-butyl 6-[(1-methyl-4-oxo-1,6-naphthyridin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate (PubChem CID 176681845) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is tert-butyl 6-[(1-methyl-4-oxo-1,6-naphthyridin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(1-methyl-4-oxo-1,6-naphthyridin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate
PubChem CID176681845
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Nametert-butyl 6-[(1-methyl-4-oxo-1,6-naphthyridin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCn1cc(CN2CCN(C(=O)OC(C)(C)C)CC23CCCC3)c(=O)c2cnccc21
InChIInChI=1S/C23H32N4O3/c1-22(2,3)30-21(29)26-11-12-27(23(16-26)8-5-6-9-23)15-17-14-25(4)19-7-10-24-13-18(19)20(17)28/h7,10,13-14H,5-6,8-9,11-12,15-16H2,1-4H3
InChIKeyBOHLZPGLISTUMS-UHFFFAOYSA-N
XLogP3.30
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(1-methyl-4-oxo-1,6-naphthyridin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl 6-[(1-methyl-4-oxo-1,6-naphthyridin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate (CID 176681845) is tert-butyl 6-[(1-methyl-4-oxo-1,6-naphthyridin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl 6-[(1-methyl-4-oxo-1,6-naphthyridin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl 6-[(1-methyl-4-oxo-1,6-naphthyridin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate is Cn1cc(CN2CCN(C(=O)OC(C)(C)C)CC23CCCC3)c(=O)c2cnccc21.
What is the InChIKey of tert-butyl 6-[(1-methyl-4-oxo-1,6-naphthyridin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate?
The InChIKey is BOHLZPGLISTUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-22(2,3)30-21(29)26-11-12-27(23(16-26)8-5-6-9-23)15-17-14-25(4)19-7-10-24-13-18(19)20(17)28/h7,10,13-14H,5-6,8-9,11-12,15-16H2,1-4H3.
What are the key properties of tert-butyl 6-[(1-methyl-4-oxo-1,6-naphthyridin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate?
tert-butyl 6-[(1-methyl-4-oxo-1,6-naphthyridin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate has a molecular weight of 412.53 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(1-methyl-4-oxo-1,6-naphthyridin-3-yl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 176681845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).