1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione

C15H26N2O2 — CID 64972911

IUPAC1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(C2CCC(C)(C)CC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-4-5-12-14(19)17(10-13(18)16-12)11-6-8-15(2,3)9-7-11/h11-12H,4-10H2,1-3H3,(H,16,18)
InChIKeyXHNVGZJAUBHFPX-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds3

About 1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione

1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione (PubChem CID 64972911) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione
PubChem CID64972911
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(C2CCC(C)(C)CC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-4-5-12-14(19)17(10-13(18)16-12)11-6-8-15(2,3)9-7-11/h11-12H,4-10H2,1-3H3,(H,16,18)
InChIKeyXHNVGZJAUBHFPX-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione (CID 64972911) is 1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(C2CCC(C)(C)CC2)C1=O.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione?
The InChIKey is XHNVGZJAUBHFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-5-12-14(19)17(10-13(18)16-12)11-6-8-15(2,3)9-7-11/h11-12H,4-10H2,1-3H3,(H,16,18).
What are the key properties of 1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione?
1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64972911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).