3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione

C17H22N2O2 — CID 64879437

IUPAC3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione
SMILESCC(C)c1ccc(CN2CC(=O)NC(C3CC3)C2=O)cc1
InChIInChI=1S/C17H22N2O2/c1-11(2)13-5-3-12(4-6-13)9-19-10-15(20)18-16(17(19)21)14-7-8-14/h3-6,11,14,16H,7-10H2,1-2H3,(H,18,20)
InChIKeySGCQLWVTMVYMGB-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.05
Rot. Bonds4

About 3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione

3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione (PubChem CID 64879437) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione
PubChem CID64879437
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione
SMILESCC(C)c1ccc(CN2CC(=O)NC(C3CC3)C2=O)cc1
InChIInChI=1S/C17H22N2O2/c1-11(2)13-5-3-12(4-6-13)9-19-10-15(20)18-16(17(19)21)14-7-8-14/h3-6,11,14,16H,7-10H2,1-2H3,(H,18,20)
InChIKeySGCQLWVTMVYMGB-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione (CID 64879437) is 3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione is CC(C)c1ccc(CN2CC(=O)NC(C3CC3)C2=O)cc1.
What is the InChIKey of 3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione?
The InChIKey is SGCQLWVTMVYMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(2)13-5-3-12(4-6-13)9-19-10-15(20)18-16(17(19)21)14-7-8-14/h3-6,11,14,16H,7-10H2,1-2H3,(H,18,20).
What are the key properties of 3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione?
3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64879437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).