1,3,5-tris(piperidin-1-ylmethyl)-1,3,5-triazinane-2,4-dione

C21H38N6O2 — CID 15309366

IUPAC1,3,5-tris(piperidin-1-ylmethyl)-1,3,5-triazinane-2,4-dione
SMILESO=C1N(CN2CCCCC2)CN(CN2CCCCC2)C(=O)N1CN1CCCCC1
InChIInChI=1S/C21H38N6O2/c28-20-25(16-22-10-4-1-5-11-22)19-26(17-23-12-6-2-7-13-23)21(29)27(20)18-24-14-8-3-9-15-24/h1-19H2
InChIKeyURGPRDDAJHOCTL-UHFFFAOYSA-N
MW406.58 g/mol
LogP2.43
Rot. Bonds6

About 1,3,5-tris(piperidin-1-ylmethyl)-1,3,5-triazinane-2,4-dione

1,3,5-tris(piperidin-1-ylmethyl)-1,3,5-triazinane-2,4-dione (PubChem CID 15309366) has the molecular formula C21H38N6O2 and a molecular weight of 406.58 g/mol. Its IUPAC name is 1,3,5-tris(piperidin-1-ylmethyl)-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1,3,5-tris(piperidin-1-ylmethyl)-1,3,5-triazinane-2,4-dione
PubChem CID15309366
Molecular FormulaC21H38N6O2
Molecular Weight406.58 g/mol
Exact Mass406.31
IUPAC Name1,3,5-tris(piperidin-1-ylmethyl)-1,3,5-triazinane-2,4-dione
SMILESO=C1N(CN2CCCCC2)CN(CN2CCCCC2)C(=O)N1CN1CCCCC1
InChIInChI=1S/C21H38N6O2/c28-20-25(16-22-10-4-1-5-11-22)19-26(17-23-12-6-2-7-13-23)21(29)27(20)18-24-14-8-3-9-15-24/h1-19H2
InChIKeyURGPRDDAJHOCTL-UHFFFAOYSA-N
XLogP2.43
TPSA53.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(piperidin-1-ylmethyl)-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1,3,5-tris(piperidin-1-ylmethyl)-1,3,5-triazinane-2,4-dione (CID 15309366) is 1,3,5-tris(piperidin-1-ylmethyl)-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1,3,5-tris(piperidin-1-ylmethyl)-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1,3,5-tris(piperidin-1-ylmethyl)-1,3,5-triazinane-2,4-dione is O=C1N(CN2CCCCC2)CN(CN2CCCCC2)C(=O)N1CN1CCCCC1.
What is the InChIKey of 1,3,5-tris(piperidin-1-ylmethyl)-1,3,5-triazinane-2,4-dione?
The InChIKey is URGPRDDAJHOCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N6O2/c28-20-25(16-22-10-4-1-5-11-22)19-26(17-23-12-6-2-7-13-23)21(29)27(20)18-24-14-8-3-9-15-24/h1-19H2.
What are the key properties of 1,3,5-tris(piperidin-1-ylmethyl)-1,3,5-triazinane-2,4-dione?
1,3,5-tris(piperidin-1-ylmethyl)-1,3,5-triazinane-2,4-dione has a molecular weight of 406.58 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(piperidin-1-ylmethyl)-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 15309366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).