4-(2-cyclopentyl-2-oxoethyl)-1,4-diazepan-2-one

C12H20N2O2 — CID 104750873

IUPAC4-(2-cyclopentyl-2-oxoethyl)-1,4-diazepan-2-one
SMILESO=C1CN(CC(=O)C2CCCC2)CCCN1
InChIInChI=1S/C12H20N2O2/c15-11(10-4-1-2-5-10)8-14-7-3-6-13-12(16)9-14/h10H,1-9H2,(H,13,16)
InChIKeyYTUYMEOERNLJEH-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.57
Rot. Bonds3

About 4-(2-cyclopentyl-2-oxoethyl)-1,4-diazepan-2-one

4-(2-cyclopentyl-2-oxoethyl)-1,4-diazepan-2-one (PubChem CID 104750873) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-(2-cyclopentyl-2-oxoethyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2-cyclopentyl-2-oxoethyl)-1,4-diazepan-2-one
PubChem CID104750873
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-(2-cyclopentyl-2-oxoethyl)-1,4-diazepan-2-one
SMILESO=C1CN(CC(=O)C2CCCC2)CCCN1
InChIInChI=1S/C12H20N2O2/c15-11(10-4-1-2-5-10)8-14-7-3-6-13-12(16)9-14/h10H,1-9H2,(H,13,16)
InChIKeyYTUYMEOERNLJEH-UHFFFAOYSA-N
XLogP0.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-oxo-1,4-diazepan-1-yl)ethanethioamide
CID 65361002
4-(2-cyclohexyl-2-oxoethyl)-1-methylpiperazin-2-one
CID 104750864
1-(azepan-4-yl)-2-piperidin-1-ylethanone
CID 115007035
4-(2-hydroxyethyl)-1,4-diazepan-2-one
CID 14574145
methyl 2-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanoate
CID 65366327
N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide
CID 8962755
1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 104750643
4-(5-aminopentyl)-1,4-diazepan-2-one
CID 65361478
4-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-1,4-diazepan-2-one
CID 65366624
4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,4-diazepan-2-one
CID 65366677
4-cyclopentyl-1,4-diazepan-2-one
CID 117005235
4-[2-(1,4-diazepan-1-yl)acetyl]piperazin-2-one
CID 62837528

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentyl-2-oxoethyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(2-cyclopentyl-2-oxoethyl)-1,4-diazepan-2-one (CID 104750873) is 4-(2-cyclopentyl-2-oxoethyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2-cyclopentyl-2-oxoethyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(2-cyclopentyl-2-oxoethyl)-1,4-diazepan-2-one is O=C1CN(CC(=O)C2CCCC2)CCCN1.
What is the InChIKey of 4-(2-cyclopentyl-2-oxoethyl)-1,4-diazepan-2-one?
The InChIKey is YTUYMEOERNLJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-11(10-4-1-2-5-10)8-14-7-3-6-13-12(16)9-14/h10H,1-9H2,(H,13,16).
What are the key properties of 4-(2-cyclopentyl-2-oxoethyl)-1,4-diazepan-2-one?
4-(2-cyclopentyl-2-oxoethyl)-1,4-diazepan-2-one has a molecular weight of 224.30 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentyl-2-oxoethyl)-1,4-diazepan-2-one is sourced from PubChem (CID 104750873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).