1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C16H22N4O2 — CID 118759730

IUPAC1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(CCCc2ccncc2)C(=O)C12CCNCC2
InChIInChI=1S/C16H22N4O2/c1-19-15(22)20(12-2-3-13-4-8-17-9-5-13)14(21)16(19)6-10-18-11-7-16/h4-5,8-9,18H,2-3,6-7,10-12H2,1H3
InChIKeyZWNXKSPRISZGIO-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.03
Rot. Bonds4

About 1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 118759730) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID118759730
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(CCCc2ccncc2)C(=O)C12CCNCC2
InChIInChI=1S/C16H22N4O2/c1-19-15(22)20(12-2-3-13-4-8-17-9-5-13)14(21)16(19)6-10-18-11-7-16/h4-5,8-9,18H,2-3,6-7,10-12H2,1H3
InChIKeyZWNXKSPRISZGIO-UHFFFAOYSA-N
XLogP1.03
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-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 1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 118759730) is 1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCNCC2.
What is the InChIKey of 1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZWNXKSPRISZGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-19-15(22)20(12-2-3-13-4-8-17-9-5-13)14(21)16(19)6-10-18-11-7-16/h4-5,8-9,18H,2-3,6-7,10-12H2,1H3.
What are the key properties of 1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 302.38 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 118759730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).