tert-butyl N-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]carbamate

C18H26N2O5 — CID 137457794

IUPACtert-butyl N-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn(C2CCC3(CC2)OCCO3)c1=O
InChIInChI=1S/C18H26N2O5/c1-17(2,3)25-16(22)19-14-5-4-10-20(15(14)21)13-6-8-18(9-7-13)23-11-12-24-18/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,19,22)
InChIKeyIOGUJSACZRIXEF-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.05
Rot. Bonds2

About tert-butyl N-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]carbamate (PubChem CID 137457794) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is tert-butyl N-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]carbamate
PubChem CID137457794
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Nametert-butyl N-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn(C2CCC3(CC2)OCCO3)c1=O
InChIInChI=1S/C18H26N2O5/c1-17(2,3)25-16(22)19-14-5-4-10-20(15(14)21)13-6-8-18(9-7-13)23-11-12-24-18/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,19,22)
InChIKeyIOGUJSACZRIXEF-UHFFFAOYSA-N
XLogP3.05
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-[(1S,2S)-2-(difluoromethyl)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]carbamate
CID 164555029
tert-butyl N-[1-[(3R)-1-(2-cyanoethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]carbamate
CID 137457508
tert-butyl N-[1-(4,4-difluorocyclohexyl)-6-oxo-3-pyridinyl]carbamate
CID 171835902
N-[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]acetamide
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tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate
CID 107240362
tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)-5-[[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxymethyl]-2-oxo-3-pyridinyl]carbamate
CID 177331219
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
methyl (3R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
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tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate
CID 107240161
4-aminocyclohexan-1-ol;tert-butyl N-[1-(4-methoxycyclohexyl)-2-oxo-3-pyridinyl]carbamate;tert-butyl(trimethyl)silane;dichloromethane;1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylic acid;bis(4-methylcyclohexan-1-amine);methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methoxycyclohexyl)-2-oxopyridine-3-carboxylate;methyl 1-(4-methylcyclohexyl)-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate
CID 160528434
tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate
CID 107240278
tert-butyl N-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(4-fluorophenyl)-2-nitrophenyl]carbamate
CID 70001767

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]carbamate (CID 137457794) is tert-butyl N-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccn(C2CCC3(CC2)OCCO3)c1=O.
What is the InChIKey of tert-butyl N-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]carbamate?
The InChIKey is IOGUJSACZRIXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-17(2,3)25-16(22)19-14-5-4-10-20(15(14)21)13-6-8-18(9-7-13)23-11-12-24-18/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl N-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]carbamate has a molecular weight of 350.42 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137457794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).