3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione

C17H22N2O2 — CID 64886536

IUPAC3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione
SMILESCCN1C(=O)C(C)(C2CC2)NC(=O)C1(C)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-4-19-15(21)16(2,12-10-11-12)18-14(20)17(19,3)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,18,20)
InChIKeyVMBPLQNDQPSJPS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.05
Rot. Bonds3

About 3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione

3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione (PubChem CID 64886536) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione
PubChem CID64886536
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione
SMILESCCN1C(=O)C(C)(C2CC2)NC(=O)C1(C)c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-4-19-15(21)16(2,12-10-11-12)18-14(20)17(19,3)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,18,20)
InChIKeyVMBPLQNDQPSJPS-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione
CID 64902778
1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione
CID 64885693
1-benzyl-3-cyclopropyl-6,6-diethyl-3-methylpiperazine-2,5-dione
CID 64885386
1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64885387
1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione
CID 64879072
3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione
CID 64885577
3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64885382
3-cyclopropyl-6,6-diethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64885576
1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione
CID 64902260
3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888901
(5S)-3-[[benzyl(methyl)amino]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 9184509
3,6-dicyclopropyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64885771

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione (CID 64886536) is 3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione is CCN1C(=O)C(C)(C2CC2)NC(=O)C1(C)c1ccccc1.
What is the InChIKey of 3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione?
The InChIKey is VMBPLQNDQPSJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-19-15(21)16(2,12-10-11-12)18-14(20)17(19,3)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,18,20).
What are the key properties of 3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione?
3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64886536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).