1-(2-oxopiperidin-3-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione

C12H17N3O4 — CID 112600409

IUPAC1-(2-oxopiperidin-3-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1C(=O)NC(=O)N(C2CCCNC2=O)C1=O
InChIInChI=1S/C12H17N3O4/c1-6(2)8-10(17)14-12(19)15(11(8)18)7-4-3-5-13-9(7)16/h6-8H,3-5H2,1-2H3,(H,13,16)(H,14,17,19)
InChIKeyCYPCPBIENYRATG-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.38
Rot. Bonds2

About 1-(2-oxopiperidin-3-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione

1-(2-oxopiperidin-3-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 112600409) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(2-oxopiperidin-3-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-oxopiperidin-3-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID112600409
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-(2-oxopiperidin-3-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1C(=O)NC(=O)N(C2CCCNC2=O)C1=O
InChIInChI=1S/C12H17N3O4/c1-6(2)8-10(17)14-12(19)15(11(8)18)7-4-3-5-13-9(7)16/h6-8H,3-5H2,1-2H3,(H,13,16)(H,14,17,19)
InChIKeyCYPCPBIENYRATG-UHFFFAOYSA-N
XLogP-0.38
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(2-oxopiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600414
1-cyclohex-3-en-1-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112601136
2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione
CID 1494048
1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115948061
3-(azocan-1-yl)piperidin-2-one
CID 90761480
1-[(5-oxopyrrolidin-2-yl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112601050
1-[1-(oxolan-2-yl)ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112599321
3-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)piperidin-2-one
CID 62093617
1-[2-[cyclopentyl(methyl)amino]ethyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115948244
5-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948114
molecular hydrogen;2-(2-oxoazepan-3-yl)isoindole-1,3-dione
CID 153385124
1-(4-methylpentan-2-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112599235

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopiperidin-3-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2-oxopiperidin-3-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione (CID 112600409) is 1-(2-oxopiperidin-3-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-oxopiperidin-3-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2-oxopiperidin-3-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione is CC(C)C1C(=O)NC(=O)N(C2CCCNC2=O)C1=O.
What is the InChIKey of 1-(2-oxopiperidin-3-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is CYPCPBIENYRATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-6(2)8-10(17)14-12(19)15(11(8)18)7-4-3-5-13-9(7)16/h6-8H,3-5H2,1-2H3,(H,13,16)(H,14,17,19).
What are the key properties of 1-(2-oxopiperidin-3-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
1-(2-oxopiperidin-3-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 267.28 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopiperidin-3-yl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112600409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).