6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione

C9H14N4O3 — CID 74313460

IUPAC6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione
SMILESO=C1CC(C(=O)N2CCNCC2)NC(=O)N1
InChIInChI=1S/C9H14N4O3/c14-7-5-6(11-9(16)12-7)8(15)13-3-1-10-2-4-13/h6,10H,1-5H2,(H2,11,12,14,16)
InChIKeyVJNVNTZVXVPQPN-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.98
Rot. Bonds1

About 6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione

6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione (PubChem CID 74313460) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione
PubChem CID74313460
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione
SMILESO=C1CC(C(=O)N2CCNCC2)NC(=O)N1
InChIInChI=1S/C9H14N4O3/c14-7-5-6(11-9(16)12-7)8(15)13-3-1-10-2-4-13/h6,10H,1-5H2,(H2,11,12,14,16)
InChIKeyVJNVNTZVXVPQPN-UHFFFAOYSA-N
XLogP-1.98
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-(piperazine-1-carbonyl)-1,3-diazinane-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

Related Compounds

2,6-dioxo-1,3-diazinane-4-carbothioic S-acid
CID 88617263
2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc
CID 76549402
potassium 2,6-dioxo-1,3-diazinane-4-carboxylate
CID 45048888
magnesium bis(2,6-dioxo-1,3-diazinane-4-carboxylate)
CID 122130903
(7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione
CID 99934357
(6R)-6-(2-methylpropanoyl)-1,3-diazinane-2,4-dione
CID 166510821
(2R,5S)-5-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 112757661
methyl 2,6-dioxo-1,3-diazinane-4-carboxylate
CID 574666
(6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione
CID 56705943
(7S)-7-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,3-diazepane-2,4-dione
CID 126430247
1-methyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82508282
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190

Frequently Asked Questions

What is the IUPAC name of 6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione (CID 74313460) is 6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione is O=C1CC(C(=O)N2CCNCC2)NC(=O)N1.
What is the InChIKey of 6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione?
The InChIKey is VJNVNTZVXVPQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c14-7-5-6(11-9(16)12-7)8(15)13-3-1-10-2-4-13/h6,10H,1-5H2,(H2,11,12,14,16).
What are the key properties of 6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione?
6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione has a molecular weight of 226.24 g/mol, XLogP of -1.98, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 74313460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).