4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

C16H21N3O2 — CID 114957798

IUPAC4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCc1ccncc1CN1CC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H21N3O2/c1-12-5-8-17-9-13(12)10-19-11-14(20)18-16(15(19)21)6-3-2-4-7-16/h5,8-9H,2-4,6-7,10-11H2,1H3,(H,18,20)
InChIKeyIJOVQZVONYOLCL-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.55
Rot. Bonds2

About 4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 114957798) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID114957798
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCc1ccncc1CN1CC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H21N3O2/c1-12-5-8-17-9-13(12)10-19-11-14(20)18-16(15(19)21)6-3-2-4-7-16/h5,8-9H,2-4,6-7,10-11H2,1H3,(H,18,20)
InChIKeyIJOVQZVONYOLCL-UHFFFAOYSA-N
XLogP1.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 114957798) is 4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is Cc1ccncc1CN1CC(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is IJOVQZVONYOLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-5-8-17-9-13(12)10-19-11-14(20)18-16(15(19)21)6-3-2-4-7-16/h5,8-9H,2-4,6-7,10-11H2,1H3,(H,18,20).
What are the key properties of 4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 287.36 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 114957798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).