(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate

C25H32N2O5 — CID 45486060

IUPAC(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate
SMILESCC1(C)CC(OC(=O)c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)CC(C)(C)N1O
InChIInChI=1S/C25H32N2O5/c1-24(2)13-17(14-25(3,4)27(24)30)31-22(28)19-12-16-11-15-7-5-9-26-10-6-8-18(20(15)26)21(16)32-23(19)29/h11-12,17,30H,5-10,13-14H2,1-4H3
InChIKeyNDEYNBVKGAPBIG-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.06
Rot. Bonds2

About (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate

(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate (PubChem CID 45486060) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate.

Molecular Properties

Compound Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate
PubChem CID45486060
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate
SMILESCC1(C)CC(OC(=O)c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)CC(C)(C)N1O
InChIInChI=1S/C25H32N2O5/c1-24(2)13-17(14-25(3,4)27(24)30)31-22(28)19-12-16-11-15-7-5-9-26-10-6-8-18(20(15)26)21(16)32-23(19)29/h11-12,17,30H,5-10,13-14H2,1-4H3
InChIKeyNDEYNBVKGAPBIG-UHFFFAOYSA-N
XLogP4.06
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate?
The IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate (CID 45486060) is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate.
What is the SMILES notation for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate?
The canonical SMILES for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate is CC1(C)CC(OC(=O)c2cc3cc4c5c(c3oc2=O)CCCN5CCC4)CC(C)(C)N1O.
What is the InChIKey of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate?
The InChIKey is NDEYNBVKGAPBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-24(2)13-17(14-25(3,4)27(24)30)31-22(28)19-12-16-11-15-7-5-9-26-10-6-8-18(20(15)26)21(16)32-23(19)29/h11-12,17,30H,5-10,13-14H2,1-4H3.
What are the key properties of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate?
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate has a molecular weight of 440.54 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxylate is sourced from PubChem (CID 45486060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).