1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione

C16H28N2O2 — CID 64969313

IUPAC1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(C(CC)C2CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-3-8-13-16(20)18(11-15(19)17-13)14(4-2)12-9-6-5-7-10-12/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyCGALYAADZBLCRH-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds5

About 1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione

1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione (PubChem CID 64969313) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione
PubChem CID64969313
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(C(CC)C2CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-3-8-13-16(20)18(11-15(19)17-13)14(4-2)12-9-6-5-7-10-12/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyCGALYAADZBLCRH-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione
CID 104830282
3-(1-cyclohexylpropyl)-5-methyl-2-propylimidazolidin-4-one
CID 83255425
9-(1-cyclohexylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64969194
1-(1-cyclohexylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948017
1-(1-methylcyclohexyl)-3-propylpiperazine-2,5-dione
CID 64968246
1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64965650
1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione
CID 64966088
3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione
CID 64972207
1-butyl-3-propylpiperazine-2,5-dione
CID 64879982
3-(1-cyclohexylethyl)-2-methyl-5-propylimidazolidin-4-one
CID 83254999
1-(1-cyclohexylpropyl)-3-ethyl-6-methylpiperazine-2,5-dione
CID 64969277
3-(1-cyclohexylpropyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one
CID 83249303

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione (CID 64969313) is 1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(C(CC)C2CCCCC2)C1=O.
What is the InChIKey of 1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione?
The InChIKey is CGALYAADZBLCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-8-13-16(20)18(11-15(19)17-13)14(4-2)12-9-6-5-7-10-12/h12-14H,3-11H2,1-2H3,(H,17,19).
What are the key properties of 1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione?
1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64969313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).