3-cyclopropyl-1-(2,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione

C17H30N2O2 — CID 64973145

IUPAC3-cyclopropyl-1-(2,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C(C)CN1C(=O)C(C)(C2CC2)NC(=O)C1C(C)C
InChIInChI=1S/C17H30N2O2/c1-10(2)12(5)9-19-14(11(3)4)15(20)18-17(6,16(19)21)13-7-8-13/h10-14H,7-9H2,1-6H3,(H,18,20)
InChIKeySVTHDSGSADRHKW-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.43
Rot. Bonds5

About 3-cyclopropyl-1-(2,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione

3-cyclopropyl-1-(2,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64973145) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64973145
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-cyclopropyl-1-(2,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C(C)CN1C(=O)C(C)(C2CC2)NC(=O)C1C(C)C
InChIInChI=1S/C17H30N2O2/c1-10(2)12(5)9-19-14(11(3)4)15(20)18-17(6,16(19)21)13-7-8-13/h10-14H,7-9H2,1-6H3,(H,18,20)
InChIKeySVTHDSGSADRHKW-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(3,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64885748
3-cyclopropyl-1-(3-fluoropropyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 81114687
1-[(E)-3-chloroprop-2-enyl]-3-cyclopropyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 107902298
3-cyclopropyl-3-methyl-1-(3-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64964582
6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione
CID 64887094
6-tert-butyl-3-cyclopropyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64884996
6-butan-2-yl-3-cyclopropyl-1-(2-ethoxyethyl)-3-methylpiperazine-2,5-dione
CID 64887477
3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione
CID 64968620
1-(cyclopentylmethyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64887277
3,6-dicyclopropyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 83149405
3-cyclopropyl-3-methyl-1,6-dipropylpiperazine-2,5-dione
CID 64886332
3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione
CID 64885751

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(2,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (CID 64973145) is 3-cyclopropyl-1-(2,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(2,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(2,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is CC(C)C(C)CN1C(=O)C(C)(C2CC2)NC(=O)C1C(C)C.
What is the InChIKey of 3-cyclopropyl-1-(2,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is SVTHDSGSADRHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-10(2)12(5)9-19-14(11(3)4)15(20)18-17(6,16(19)21)13-7-8-13/h10-14H,7-9H2,1-6H3,(H,18,20).
What are the key properties of 3-cyclopropyl-1-(2,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
3-cyclopropyl-1-(2,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,3-dimethylbutyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64973145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).