3-cyclopropyl-1-(3,4-dimethylcyclohexyl)-6-methylpiperazine-2,5-dione

C16H26N2O2 — CID 64973689

IUPAC3-cyclopropyl-1-(3,4-dimethylcyclohexyl)-6-methylpiperazine-2,5-dione
SMILESCC1CCC(N2C(=O)C(C3CC3)NC(=O)C2C)CC1C
InChIInChI=1S/C16H26N2O2/c1-9-4-7-13(8-10(9)2)18-11(3)15(19)17-14(16(18)20)12-5-6-12/h9-14H,4-8H2,1-3H3,(H,17,19)
InChIKeyLQVKXGPSWOXYBF-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.94
Rot. Bonds2

About 3-cyclopropyl-1-(3,4-dimethylcyclohexyl)-6-methylpiperazine-2,5-dione

3-cyclopropyl-1-(3,4-dimethylcyclohexyl)-6-methylpiperazine-2,5-dione (PubChem CID 64973689) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3,4-dimethylcyclohexyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(3,4-dimethylcyclohexyl)-6-methylpiperazine-2,5-dione
PubChem CID64973689
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-cyclopropyl-1-(3,4-dimethylcyclohexyl)-6-methylpiperazine-2,5-dione
SMILESCC1CCC(N2C(=O)C(C3CC3)NC(=O)C2C)CC1C
InChIInChI=1S/C16H26N2O2/c1-9-4-7-13(8-10(9)2)18-11(3)15(19)17-14(16(18)20)12-5-6-12/h9-14H,4-8H2,1-3H3,(H,17,19)
InChIKeyLQVKXGPSWOXYBF-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-6-methylpiperazine-2,5-dione
CID 64957082
3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one
CID 83263641
3-cyclopropyl-1-(1-ethylpiperidin-3-yl)-6-methylpiperazine-2,5-dione
CID 64965009
1-(3,4-dimethylcyclohexyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64973434
3-(3,4-dimethylcyclohexyl)-5-methylimidazolidin-4-one
CID 83264832
3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione
CID 64885417
3-cyclopropyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64885420
3-(3,4-dimethylcyclohexyl)-2,5-diethylimidazolidin-4-one
CID 83263458
1-(3,4-dimethylcyclohexyl)imidazolidin-2-one
CID 115370706
1-(3,4-dimethylcyclohexyl)piperidin-4-one
CID 64738365
5-butan-2-yl-3-(3,4-dimethylcyclohexyl)-2-methylimidazolidin-4-one
CID 83263151
1-(cyclopentylmethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64887134

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3,4-dimethylcyclohexyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(3,4-dimethylcyclohexyl)-6-methylpiperazine-2,5-dione (CID 64973689) is 3-cyclopropyl-1-(3,4-dimethylcyclohexyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(3,4-dimethylcyclohexyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(3,4-dimethylcyclohexyl)-6-methylpiperazine-2,5-dione is CC1CCC(N2C(=O)C(C3CC3)NC(=O)C2C)CC1C.
What is the InChIKey of 3-cyclopropyl-1-(3,4-dimethylcyclohexyl)-6-methylpiperazine-2,5-dione?
The InChIKey is LQVKXGPSWOXYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-9-4-7-13(8-10(9)2)18-11(3)15(19)17-14(16(18)20)12-5-6-12/h9-14H,4-8H2,1-3H3,(H,17,19).
What are the key properties of 3-cyclopropyl-1-(3,4-dimethylcyclohexyl)-6-methylpiperazine-2,5-dione?
3-cyclopropyl-1-(3,4-dimethylcyclohexyl)-6-methylpiperazine-2,5-dione has a molecular weight of 278.40 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3,4-dimethylcyclohexyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64973689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).