3-cyclopropyl-3-methyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione

C15H19N3O2 — CID 64963080

IUPAC3-cyclopropyl-3-methyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
SMILESCC(c1ccncc1)N1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C15H19N3O2/c1-10(11-5-7-16-8-6-11)18-9-13(19)17-15(2,14(18)20)12-3-4-12/h5-8,10,12H,3-4,9H2,1-2H3,(H,17,19)
InChIKeyMXBOZDHRCOIGKX-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.27
Rot. Bonds3

About 3-cyclopropyl-3-methyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione

3-cyclopropyl-3-methyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione (PubChem CID 64963080) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
PubChem CID64963080
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-cyclopropyl-3-methyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
SMILESCC(c1ccncc1)N1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C15H19N3O2/c1-10(11-5-7-16-8-6-11)18-9-13(19)17-15(2,14(18)20)12-3-4-12/h5-8,10,12H,3-4,9H2,1-2H3,(H,17,19)
InChIKeyMXBOZDHRCOIGKX-UHFFFAOYSA-N
XLogP1.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64964160
3-cyclopropyl-3-methyl-1-(2-methylpentan-3-yl)piperazine-2,5-dione
CID 64964684
3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione
CID 64969134
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64956567
3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione
CID 106027659
3-cyclopropyl-1-(2,2-dimethylcyclopropyl)-3-methylpiperazine-2,5-dione
CID 64968171
3-ethyl-3-methyl-1-[1-(4-methylphenyl)ethyl]piperazine-2,5-dione
CID 64966760
3-cyclopropyl-1-(1-pyridin-4-ylethyl)-1,4-diazepane-2,5-dione
CID 64963198
5-cyclopropyl-2-ethyl-5-methyl-1-(1-pyridin-4-ylethyl)piperazine
CID 64935896
9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957690
3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione
CID 64958945
3-cyclopropyl-3-methyl-1-(3-methylphenyl)piperazine-2,5-dione
CID 64959497

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3-methyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione (CID 64963080) is 3-cyclopropyl-3-methyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione is CC(c1ccncc1)N1CC(=O)NC(C)(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione?
The InChIKey is MXBOZDHRCOIGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(11-5-7-16-8-6-11)18-9-13(19)17-15(2,14(18)20)12-3-4-12/h5-8,10,12H,3-4,9H2,1-2H3,(H,17,19).
What are the key properties of 3-cyclopropyl-3-methyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione?
3-cyclopropyl-3-methyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione has a molecular weight of 273.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64963080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).