3-propyl-1-pyridin-3-ylpiperazine-2,5-dione

C12H15N3O2 — CID 64956276

IUPAC3-propyl-1-pyridin-3-ylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2cccnc2)C1=O
InChIInChI=1S/C12H15N3O2/c1-2-4-10-12(17)15(8-11(16)14-10)9-5-3-6-13-7-9/h3,5-7,10H,2,4,8H2,1H3,(H,14,16)
InChIKeyXYHJWCDDVMDLPF-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.71
Rot. Bonds3

About 3-propyl-1-pyridin-3-ylpiperazine-2,5-dione

3-propyl-1-pyridin-3-ylpiperazine-2,5-dione (PubChem CID 64956276) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-propyl-1-pyridin-3-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-propyl-1-pyridin-3-ylpiperazine-2,5-dione
PubChem CID64956276
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-propyl-1-pyridin-3-ylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2cccnc2)C1=O
InChIInChI=1S/C12H15N3O2/c1-2-4-10-12(17)15(8-11(16)14-10)9-5-3-6-13-7-9/h3,5-7,10H,2,4,8H2,1H3,(H,14,16)
InChIKeyXYHJWCDDVMDLPF-UHFFFAOYSA-N
XLogP0.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione
CID 107587022
3-propyl-1-quinolin-6-ylpiperazine-2,5-dione
CID 64969744
3-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione
CID 82795304
1-(3,5-dimethoxyphenyl)-3-propylpiperazine-2,5-dione
CID 64956816
1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione
CID 64962555
1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64962234
1-(3,5-dichloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 107580202
1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64970685
3-butan-2-yl-1-pyridin-3-yl-1,4-diazepane-2,5-dione
CID 64956259
3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64880362
1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione
CID 107623446
1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione
CID 64966088

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-pyridin-3-ylpiperazine-2,5-dione?
The IUPAC name of 3-propyl-1-pyridin-3-ylpiperazine-2,5-dione (CID 64956276) is 3-propyl-1-pyridin-3-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-propyl-1-pyridin-3-ylpiperazine-2,5-dione?
The canonical SMILES for 3-propyl-1-pyridin-3-ylpiperazine-2,5-dione is CCCC1NC(=O)CN(c2cccnc2)C1=O.
What is the InChIKey of 3-propyl-1-pyridin-3-ylpiperazine-2,5-dione?
The InChIKey is XYHJWCDDVMDLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-4-10-12(17)15(8-11(16)14-10)9-5-3-6-13-7-9/h3,5-7,10H,2,4,8H2,1H3,(H,14,16).
What are the key properties of 3-propyl-1-pyridin-3-ylpiperazine-2,5-dione?
3-propyl-1-pyridin-3-ylpiperazine-2,5-dione has a molecular weight of 233.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-pyridin-3-ylpiperazine-2,5-dione is sourced from PubChem (CID 64956276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).