10-hydroxy-1,3,11,12-tetraoxo-9-piperidin-1-yl-4a,5,5a,6,11a,12a-hexahydro-4H-tetracene-2-carboxamide

C24H26N2O6 — CID 123479264

IUPAC10-hydroxy-1,3,11,12-tetraoxo-9-piperidin-1-yl-4a,5,5a,6,11a,12a-hexahydro-4H-tetracene-2-carboxamide
SMILESNC(=O)C1C(=O)CC2CC3Cc4ccc(N5CCCCC5)c(O)c4C(=O)C3C(=O)C2C1=O
InChIInChI=1S/C24H26N2O6/c25-24(32)19-15(27)10-13-9-12-8-11-4-5-14(26-6-2-1-3-7-26)20(28)16(11)21(29)17(12)22(30)18(13)23(19)31/h4-5,12-13,17-19,28H,1-3,6-10H2,(H2,25,32)
InChIKeyWSHNSJIZXZGWIO-UHFFFAOYSA-N
MW438.48 g/mol
LogP1.20
Rot. Bonds2

About 10-hydroxy-1,3,11,12-tetraoxo-9-piperidin-1-yl-4a,5,5a,6,11a,12a-hexahydro-4H-tetracene-2-carboxamide

10-hydroxy-1,3,11,12-tetraoxo-9-piperidin-1-yl-4a,5,5a,6,11a,12a-hexahydro-4H-tetracene-2-carboxamide (PubChem CID 123479264) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is 10-hydroxy-1,3,11,12-tetraoxo-9-piperidin-1-yl-4a,5,5a,6,11a,12a-hexahydro-4H-tetracene-2-carboxamide.

Molecular Properties

Compound Name10-hydroxy-1,3,11,12-tetraoxo-9-piperidin-1-yl-4a,5,5a,6,11a,12a-hexahydro-4H-tetracene-2-carboxamide
PubChem CID123479264
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name10-hydroxy-1,3,11,12-tetraoxo-9-piperidin-1-yl-4a,5,5a,6,11a,12a-hexahydro-4H-tetracene-2-carboxamide
SMILESNC(=O)C1C(=O)CC2CC3Cc4ccc(N5CCCCC5)c(O)c4C(=O)C3C(=O)C2C1=O
InChIInChI=1S/C24H26N2O6/c25-24(32)19-15(27)10-13-9-12-8-11-4-5-14(26-6-2-1-3-7-26)20(28)16(11)21(29)17(12)22(30)18(13)23(19)31/h4-5,12-13,17-19,28H,1-3,6-10H2,(H2,25,32)
InChIKeyWSHNSJIZXZGWIO-UHFFFAOYSA-N
XLogP1.20
TPSA134.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4aS,5aR,12aS)-10,12a-dihydroxy-1,3,11,12-tetraoxo-9-piperidin-1-yl-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
CID 91600382
(4S,4aS,5aR,12aS)-4-(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-9-piperidin-1-yl-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
CID 91353533
(4aS,5aR,12aS)-9-(aminomethyl)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
CID 90714035
(4aS,5aR,12aS)-10,12a-dihydroxy-1,3,11,12-tetraoxo-9-propan-2-yl-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
CID 10173177
9-(3-acetamidophenyl)-7-(dimethylamino)-10-hydroxy-1,3,11,12-tetraoxo-4a,5,5a,6,11a,12a-hexahydro-4H-tetracene-2-carboxamide
CID 123974067
7-[(2,2-dimethylpropylamino)methyl]-10-hydroxy-9-(methylsulfanylmethyl)-1,3,11,12-tetraoxo-4a,5,5a,6,11a,12a-hexahydro-4H-tetracene-2-carboxamide
CID 91528605
(4S)-4-(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-9-[[2-oxo-2-(pyrrolidin-1-ylamino)ethyl]amino]-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
CID 91484843
10,12a-dihydroxy-1,3,11,12-tetraoxo-9-[[2-(propylamino)acetyl]amino]-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
CID 57140425
(4aS,5aR,12aS)-10,12a-dihydroxy-9-[[methyl(prop-2-enyl)amino]methyl]-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
CID 91596772
10,12a-dihydroxy-8-(1-methylpyrrolidin-2-yl)-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
CID 123929339
(4aR,5S,5aR,12aS)-9-bromo-5,10,12a-trihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
CID 91128652
7-amino-9-[(5-bicyclo[2.1.1]hexanylamino)methyl]-10-hydroxy-1,3,11,12-tetraoxo-4a,5,5a,6,6a,7,10,10a,11a,12a-decahydro-4H-tetracene-2-carboxamide
CID 123533577

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-1,3,11,12-tetraoxo-9-piperidin-1-yl-4a,5,5a,6,11a,12a-hexahydro-4H-tetracene-2-carboxamide?
The IUPAC name of 10-hydroxy-1,3,11,12-tetraoxo-9-piperidin-1-yl-4a,5,5a,6,11a,12a-hexahydro-4H-tetracene-2-carboxamide (CID 123479264) is 10-hydroxy-1,3,11,12-tetraoxo-9-piperidin-1-yl-4a,5,5a,6,11a,12a-hexahydro-4H-tetracene-2-carboxamide.
What is the SMILES notation for 10-hydroxy-1,3,11,12-tetraoxo-9-piperidin-1-yl-4a,5,5a,6,11a,12a-hexahydro-4H-tetracene-2-carboxamide?
The canonical SMILES for 10-hydroxy-1,3,11,12-tetraoxo-9-piperidin-1-yl-4a,5,5a,6,11a,12a-hexahydro-4H-tetracene-2-carboxamide is NC(=O)C1C(=O)CC2CC3Cc4ccc(N5CCCCC5)c(O)c4C(=O)C3C(=O)C2C1=O.
What is the InChIKey of 10-hydroxy-1,3,11,12-tetraoxo-9-piperidin-1-yl-4a,5,5a,6,11a,12a-hexahydro-4H-tetracene-2-carboxamide?
The InChIKey is WSHNSJIZXZGWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c25-24(32)19-15(27)10-13-9-12-8-11-4-5-14(26-6-2-1-3-7-26)20(28)16(11)21(29)17(12)22(30)18(13)23(19)31/h4-5,12-13,17-19,28H,1-3,6-10H2,(H2,25,32).
What are the key properties of 10-hydroxy-1,3,11,12-tetraoxo-9-piperidin-1-yl-4a,5,5a,6,11a,12a-hexahydro-4H-tetracene-2-carboxamide?
10-hydroxy-1,3,11,12-tetraoxo-9-piperidin-1-yl-4a,5,5a,6,11a,12a-hexahydro-4H-tetracene-2-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-1,3,11,12-tetraoxo-9-piperidin-1-yl-4a,5,5a,6,11a,12a-hexahydro-4H-tetracene-2-carboxamide is sourced from PubChem (CID 123479264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).