1-piperidin-3-yl-1,3-diazinane-2,4-dione

C9H15N3O2 — CID 75607085

IUPAC1-piperidin-3-yl-1,3-diazinane-2,4-dione
SMILESO=C1CCN(C2CCCNC2)C(=O)N1
InChIInChI=1S/C9H15N3O2/c13-8-3-5-12(9(14)11-8)7-2-1-4-10-6-7/h7,10H,1-6H2,(H,11,13,14)
InChIKeyBGHULKIYDGQRLL-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.32
Rot. Bonds1

About 1-piperidin-3-yl-1,3-diazinane-2,4-dione

1-piperidin-3-yl-1,3-diazinane-2,4-dione (PubChem CID 75607085) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-piperidin-3-yl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-piperidin-3-yl-1,3-diazinane-2,4-dione
PubChem CID75607085
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-piperidin-3-yl-1,3-diazinane-2,4-dione
SMILESO=C1CCN(C2CCCNC2)C(=O)N1
InChIInChI=1S/C9H15N3O2/c13-8-3-5-12(9(14)11-8)7-2-1-4-10-6-7/h7,10H,1-6H2,(H,11,13,14)
InChIKeyBGHULKIYDGQRLL-UHFFFAOYSA-N
XLogP-0.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-yl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-piperidin-3-yl-1,3-diazinane-2,4-dione (CID 75607085) is 1-piperidin-3-yl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-piperidin-3-yl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-piperidin-3-yl-1,3-diazinane-2,4-dione is O=C1CCN(C2CCCNC2)C(=O)N1.
What is the InChIKey of 1-piperidin-3-yl-1,3-diazinane-2,4-dione?
The InChIKey is BGHULKIYDGQRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c13-8-3-5-12(9(14)11-8)7-2-1-4-10-6-7/h7,10H,1-6H2,(H,11,13,14).
What are the key properties of 1-piperidin-3-yl-1,3-diazinane-2,4-dione?
1-piperidin-3-yl-1,3-diazinane-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-yl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 75607085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).