3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione

C17H28N2O2 — CID 82923635

IUPAC3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C2CC2)N(C2CCCCC2)C1=O
InChIInChI=1S/C17H28N2O2/c1-3-11(2)14-17(21)19(13-7-5-4-6-8-13)15(12-9-10-12)16(20)18-14/h11-15H,3-10H2,1-2H3,(H,18,20)
InChIKeyQVRGCUZJRABWLO-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.47
Rot. Bonds4

About 3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione

3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione (PubChem CID 82923635) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione
PubChem CID82923635
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C2CC2)N(C2CCCCC2)C1=O
InChIInChI=1S/C17H28N2O2/c1-3-11(2)14-17(21)19(13-7-5-4-6-8-13)15(12-9-10-12)16(20)18-14/h11-15H,3-10H2,1-2H3,(H,18,20)
InChIKeyQVRGCUZJRABWLO-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione with MolForge

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Related Compounds

1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione
CID 79452090
1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione
CID 82925459
(5R)-5-[(2R)-butan-2-yl]-3-cyclohexylimidazolidine-2,4-dione
CID 71829300
1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64960299
(5S)-5-[(2R)-butan-2-yl]-3-cyclohexyl-2-sulfanylideneimidazolidin-4-one
CID 801254
3-butan-2-yl-1-cycloheptyl-1,4-diazepane-2,5-dione
CID 64959828
3-butan-2-yl-6-methyl-1-(1-methylpiperidin-4-yl)piperazine-2,5-dione
CID 64960169
6-cyclopropyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873601
5-butan-2-yl-3-cyclobutyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83254319
1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione
CID 64874575
1-cyclopentyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958467
1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64969387

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione (CID 82923635) is 3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione is CCC(C)C1NC(=O)C(C2CC2)N(C2CCCCC2)C1=O.
What is the InChIKey of 3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione?
The InChIKey is QVRGCUZJRABWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-11(2)14-17(21)19(13-7-5-4-6-8-13)15(12-9-10-12)16(20)18-14/h11-15H,3-10H2,1-2H3,(H,18,20).
What are the key properties of 3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione?
3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione has a molecular weight of 292.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione is sourced from PubChem (CID 82923635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).