3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione

C16H28N2O2 — CID 64957202

IUPAC3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione
SMILESCCCC(C)N1CCC(=O)NC(C2CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-3-7-12(2)18-11-10-14(19)17-15(16(18)20)13-8-5-4-6-9-13/h12-13,15H,3-11H2,1-2H3,(H,17,19)
InChIKeyDJGSIUDVMUPLNF-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds4

About 3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione

3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione (PubChem CID 64957202) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione
PubChem CID64957202
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione
SMILESCCCC(C)N1CCC(=O)NC(C2CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-3-7-12(2)18-11-10-14(19)17-15(16(18)20)13-8-5-4-6-9-13/h12-13,15H,3-11H2,1-2H3,(H,17,19)
InChIKeyDJGSIUDVMUPLNF-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-cyclohexyl-1-propyl-1,4-diazepane-2,5-dione
CID 64883054
1-(1-cyclopentylethyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 64972303
3-cyclopropyl-1-pent-4-yn-2-yl-1,4-diazepane-2,5-dione
CID 113478332
3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64969063
3-cyclopropyl-7-methyl-1-pentan-2-yl-1,4-diazepane-2,5-dione
CID 114013090
3-cyclohexyl-1-(2,2-dimethylpropyl)-1,4-diazepane-2,5-dione
CID 64963843
3-cyclohexyl-1-(cyclopentylmethyl)-1,4-diazepane-2,5-dione
CID 64881695
3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione
CID 64972991
3-ethyl-1-(4-methoxybutan-2-yl)-1,4-diazepane-2,5-dione
CID 64972967
1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione
CID 107898452
3-cyclohexyl-1-(1-cyclopropylbutan-2-yl)piperazine-2,5-dione
CID 64971924
1-but-3-yn-2-yl-3-cyclohexylpiperazine-2,5-dione
CID 114420556

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione (CID 64957202) is 3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione is CCCC(C)N1CCC(=O)NC(C2CCCCC2)C1=O.
What is the InChIKey of 3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione?
The InChIKey is DJGSIUDVMUPLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-7-12(2)18-11-10-14(19)17-15(16(18)20)13-8-5-4-6-9-13/h12-13,15H,3-11H2,1-2H3,(H,17,19).
What are the key properties of 3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione?
3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione has a molecular weight of 280.41 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-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64957202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).