1-[4-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phenyl]-1,3-diazinane-2,4-dione

C18H21N3O3 — CID 176705840

IUPAC1-[4-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCC2(CC1)CN(c1ccc(N3CCC(=O)NC3=O)cc1)C2
InChIInChI=1S/C18H21N3O3/c22-15-5-8-18(9-6-15)11-20(12-18)13-1-3-14(4-2-13)21-10-7-16(23)19-17(21)24/h1-4H,5-12H2,(H,19,23,24)
InChIKeyCQLLXMUMEFEDMN-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.08
Rot. Bonds2

About 1-[4-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phenyl]-1,3-diazinane-2,4-dione

1-[4-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phenyl]-1,3-diazinane-2,4-dione (PubChem CID 176705840) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[4-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[4-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phenyl]-1,3-diazinane-2,4-dione
PubChem CID176705840
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-[4-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCC2(CC1)CN(c1ccc(N3CCC(=O)NC3=O)cc1)C2
InChIInChI=1S/C18H21N3O3/c22-15-5-8-18(9-6-15)11-20(12-18)13-1-3-14(4-2-13)21-10-7-16(23)19-17(21)24/h1-4H,5-12H2,(H,19,23,24)
InChIKeyCQLLXMUMEFEDMN-UHFFFAOYSA-N
XLogP2.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[4-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phenyl]-1,3-diazinane-2,4-dione (CID 176705840) is 1-[4-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[4-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[4-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phenyl]-1,3-diazinane-2,4-dione is O=C1CCC2(CC1)CN(c1ccc(N3CCC(=O)NC3=O)cc1)C2.
What is the InChIKey of 1-[4-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is CQLLXMUMEFEDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-15-5-8-18(9-6-15)11-20(12-18)13-1-3-14(4-2-13)21-10-7-16(23)19-17(21)24/h1-4H,5-12H2,(H,19,23,24).
What are the key properties of 1-[4-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phenyl]-1,3-diazinane-2,4-dione?
1-[4-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 327.38 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-oxo-2-azaspiro[3.5]nonan-2-yl)phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176705840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).