1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione

C14H24N2O2 — CID 64958518

IUPAC1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione
SMILESCCC1(CC)NC(=O)CCN(C2CCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-3-14(4-2)13(18)16(10-9-12(17)15-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeyOLRFSBOPNSJHPY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.84
Rot. Bonds3

About 1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione

1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione (PubChem CID 64958518) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione
PubChem CID64958518
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione
SMILESCCC1(CC)NC(=O)CCN(C2CCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-3-14(4-2)13(18)16(10-9-12(17)15-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeyOLRFSBOPNSJHPY-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-diethyl-1-(oxan-4-yl)-1,4-diazepane-2,5-dione
CID 64960815
1-cyclohexyl-3,3-diethylpiperazine-2,5-dione
CID 64958892
1-(2,3-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane-2,5-dione
CID 64959115
10-cyclobutyl-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64969522
1-cyclohexyl-3-ethyl-1,4-diazepane-2,5-dione
CID 64958811
1-(cyclopentylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64884500
1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione
CID 64956879
10-(3-ethylcyclohexyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64973403
3-butan-2-yl-1-cycloheptyl-1,4-diazepane-2,5-dione
CID 64959828
1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione
CID 83039336
3,3-diethyl-1-[(E)-pent-3-enyl]-1,4-diazepane-2,5-dione
CID 113466165
3,3-diethyl-1-(2-methylsulfanylpropyl)-1,4-diazepane-2,5-dione
CID 113466958

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione (CID 64958518) is 1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione is CCC1(CC)NC(=O)CCN(C2CCCC2)C1=O.
What is the InChIKey of 1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione?
The InChIKey is OLRFSBOPNSJHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-14(4-2)13(18)16(10-9-12(17)15-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione?
1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64958518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).