(5S)-1-benzyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione

C19H24N4O3 — CID 7367863

IUPAC(5S)-1-benzyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(Cc2ccccc2)C(=O)[C@H]1/C=N/CCN1CCCCC1
InChIInChI=1S/C19H24N4O3/c24-17-16(13-20-9-12-22-10-5-2-6-11-22)18(25)23(19(26)21-17)14-15-7-3-1-4-8-15/h1,3-4,7-8,13,16H,2,5-6,9-12,14H2,(H,21,24,26)/b20-13+/t16-/m0/s1
InChIKeyHTYSTWAWVQOSAQ-UOEVCUDDSA-N
MW356.43 g/mol
LogP1.44
Rot. Bonds6

About (5S)-1-benzyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione

(5S)-1-benzyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7367863) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (5S)-1-benzyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5S)-1-benzyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID7367863
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(5S)-1-benzyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(Cc2ccccc2)C(=O)[C@H]1/C=N/CCN1CCCCC1
InChIInChI=1S/C19H24N4O3/c24-17-16(13-20-9-12-22-10-5-2-6-11-22)18(25)23(19(26)21-17)14-15-7-3-1-4-8-15/h1,3-4,7-8,13,16H,2,5-6,9-12,14H2,(H,21,24,26)/b20-13+/t16-/m0/s1
InChIKeyHTYSTWAWVQOSAQ-UOEVCUDDSA-N
XLogP1.44
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (5S)-1-benzyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione 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 (5S)-1-benzyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5S)-1-benzyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 7367863) is (5S)-1-benzyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5S)-1-benzyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5S)-1-benzyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(Cc2ccccc2)C(=O)[C@H]1/C=N/CCN1CCCCC1.
What is the InChIKey of (5S)-1-benzyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is HTYSTWAWVQOSAQ-UOEVCUDDSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-17-16(13-20-9-12-22-10-5-2-6-11-22)18(25)23(19(26)21-17)14-15-7-3-1-4-8-15/h1,3-4,7-8,13,16H,2,5-6,9-12,14H2,(H,21,24,26)/b20-13+/t16-/m0/s1.
What are the key properties of (5S)-1-benzyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
(5S)-1-benzyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 356.43 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7367863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).