1-(8-hydroxy-6-morpholin-4-yl-9-oxoxanthen-3-yl)piperidine-4-carboxamide

C23H25N3O5 — CID 11487044

IUPAC1-(8-hydroxy-6-morpholin-4-yl-9-oxoxanthen-3-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc3c(=O)c4c(O)cc(N5CCOCC5)cc4oc3c2)CC1
InChIInChI=1S/C23H25N3O5/c24-23(29)14-3-5-25(6-4-14)15-1-2-17-19(12-15)31-20-13-16(26-7-9-30-10-8-26)11-18(27)21(20)22(17)28/h1-2,11-14,27H,3-10H2,(H2,24,29)
InChIKeyVZUAXUMFHVUGQX-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.19
Rot. Bonds3

About 1-(8-hydroxy-6-morpholin-4-yl-9-oxoxanthen-3-yl)piperidine-4-carboxamide

1-(8-hydroxy-6-morpholin-4-yl-9-oxoxanthen-3-yl)piperidine-4-carboxamide (PubChem CID 11487044) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-(8-hydroxy-6-morpholin-4-yl-9-oxoxanthen-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(8-hydroxy-6-morpholin-4-yl-9-oxoxanthen-3-yl)piperidine-4-carboxamide
PubChem CID11487044
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name1-(8-hydroxy-6-morpholin-4-yl-9-oxoxanthen-3-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc3c(=O)c4c(O)cc(N5CCOCC5)cc4oc3c2)CC1
InChIInChI=1S/C23H25N3O5/c24-23(29)14-3-5-25(6-4-14)15-1-2-17-19(12-15)31-20-13-16(26-7-9-30-10-8-26)11-18(27)21(20)22(17)28/h1-2,11-14,27H,3-10H2,(H2,24,29)
InChIKeyVZUAXUMFHVUGQX-UHFFFAOYSA-N
XLogP2.19
TPSA109.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-hydroxy-6-morpholin-4-yl-9-oxoxanthen-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(8-hydroxy-6-morpholin-4-yl-9-oxoxanthen-3-yl)piperidine-4-carboxamide (CID 11487044) is 1-(8-hydroxy-6-morpholin-4-yl-9-oxoxanthen-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(8-hydroxy-6-morpholin-4-yl-9-oxoxanthen-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(8-hydroxy-6-morpholin-4-yl-9-oxoxanthen-3-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2ccc3c(=O)c4c(O)cc(N5CCOCC5)cc4oc3c2)CC1.
What is the InChIKey of 1-(8-hydroxy-6-morpholin-4-yl-9-oxoxanthen-3-yl)piperidine-4-carboxamide?
The InChIKey is VZUAXUMFHVUGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c24-23(29)14-3-5-25(6-4-14)15-1-2-17-19(12-15)31-20-13-16(26-7-9-30-10-8-26)11-18(27)21(20)22(17)28/h1-2,11-14,27H,3-10H2,(H2,24,29).
What are the key properties of 1-(8-hydroxy-6-morpholin-4-yl-9-oxoxanthen-3-yl)piperidine-4-carboxamide?
1-(8-hydroxy-6-morpholin-4-yl-9-oxoxanthen-3-yl)piperidine-4-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-hydroxy-6-morpholin-4-yl-9-oxoxanthen-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 11487044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).