1-(1-cyclopentylethyl)-3-cyclopropyl-1,4-diazepane-2,5-dione

C15H24N2O2 — CID 64972303

IUPAC1-(1-cyclopentylethyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
SMILESCC(C1CCCC1)N1CCC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C15H24N2O2/c1-10(11-4-2-3-5-11)17-9-8-13(18)16-14(15(17)19)12-6-7-12/h10-12,14H,2-9H2,1H3,(H,16,18)
InChIKeyVSFRKOQBVKQAHK-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.69
Rot. Bonds3

About 1-(1-cyclopentylethyl)-3-cyclopropyl-1,4-diazepane-2,5-dione

1-(1-cyclopentylethyl)-3-cyclopropyl-1,4-diazepane-2,5-dione (PubChem CID 64972303) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(1-cyclopentylethyl)-3-cyclopropyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-(1-cyclopentylethyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
PubChem CID64972303
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(1-cyclopentylethyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
SMILESCC(C1CCCC1)N1CCC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C15H24N2O2/c1-10(11-4-2-3-5-11)17-9-8-13(18)16-14(15(17)19)12-6-7-12/h10-12,14H,2-9H2,1H3,(H,16,18)
InChIKeyVSFRKOQBVKQAHK-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopentylethyl)-1,3-diazinane-2,4-dione
CID 79777176
3-cyclopropyl-1-pent-4-yn-2-yl-1,4-diazepane-2,5-dione
CID 113478332
3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione
CID 64957202
3-cyclopropyl-1-(1-pyridin-4-ylethyl)-1,4-diazepane-2,5-dione
CID 64963198
3-cyclopropyl-1-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 64965112
3-cyclopropyl-1-propan-2-ylpiperazine-2,5-dione
CID 64879421
1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 64956962
1-(1-cyclohexylethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64969309
3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
CID 64959665
1-(1-cyclohexylethyl)piperidine-2,4-dione
CID 79516160
3-cyclohexyl-1-propyl-1,4-diazepane-2,5-dione
CID 64883054
1-(1-cyclopentylethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64972256

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylethyl)-3-cyclopropyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-(1-cyclopentylethyl)-3-cyclopropyl-1,4-diazepane-2,5-dione (CID 64972303) is 1-(1-cyclopentylethyl)-3-cyclopropyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-(1-cyclopentylethyl)-3-cyclopropyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-(1-cyclopentylethyl)-3-cyclopropyl-1,4-diazepane-2,5-dione is CC(C1CCCC1)N1CCC(=O)NC(C2CC2)C1=O.
What is the InChIKey of 1-(1-cyclopentylethyl)-3-cyclopropyl-1,4-diazepane-2,5-dione?
The InChIKey is VSFRKOQBVKQAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(11-4-2-3-5-11)17-9-8-13(18)16-14(15(17)19)12-6-7-12/h10-12,14H,2-9H2,1H3,(H,16,18).
What are the key properties of 1-(1-cyclopentylethyl)-3-cyclopropyl-1,4-diazepane-2,5-dione?
1-(1-cyclopentylethyl)-3-cyclopropyl-1,4-diazepane-2,5-dione has a molecular weight of 264.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylethyl)-3-cyclopropyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64972303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).