9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione

C15H17N3O3 — CID 114958048

IUPAC9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCc1ccncc1CN1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C15H17N3O3/c1-10-4-7-16-8-11(10)9-18-13(20)15(5-2-3-6-15)12(19)17-14(18)21/h4,7-8H,2-3,5-6,9H2,1H3,(H,17,19,21)
InChIKeyRIQZHAMLYLNTCT-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.53
Rot. Bonds2

About 9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione

9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 114958048) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID114958048
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESCc1ccncc1CN1C(=O)NC(=O)C2(CCCC2)C1=O
InChIInChI=1S/C15H17N3O3/c1-10-4-7-16-8-11(10)9-18-13(20)15(5-2-3-6-15)12(19)17-14(18)21/h4,7-8H,2-3,5-6,9H2,1H3,(H,17,19,21)
InChIKeyRIQZHAMLYLNTCT-UHFFFAOYSA-N
XLogP1.53
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 114958048) is 9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione is Cc1ccncc1CN1C(=O)NC(=O)C2(CCCC2)C1=O.
What is the InChIKey of 9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is RIQZHAMLYLNTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-4-7-16-8-11(10)9-18-13(20)15(5-2-3-6-15)12(19)17-14(18)21/h4,7-8H,2-3,5-6,9H2,1H3,(H,17,19,21).
What are the key properties of 9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 287.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 114958048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).