1-(4-methoxyphenyl)-1,4-diazocan-2-one

C13H18N2O2 — CID 117016195

IUPAC1-(4-methoxyphenyl)-1,4-diazocan-2-one
SMILESCOc1ccc(N2CCCCNCC2=O)cc1
InChIInChI=1S/C13H18N2O2/c1-17-12-6-4-11(5-7-12)15-9-3-2-8-14-10-13(15)16/h4-7,14H,2-3,8-10H2,1H3
InChIKeyNYYRVRIOWDQGGT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.41
Rot. Bonds2

About 1-(4-methoxyphenyl)-1,4-diazocan-2-one

1-(4-methoxyphenyl)-1,4-diazocan-2-one (PubChem CID 117016195) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-1,4-diazocan-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-1,4-diazocan-2-one
PubChem CID117016195
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(4-methoxyphenyl)-1,4-diazocan-2-one
SMILESCOc1ccc(N2CCCCNCC2=O)cc1
InChIInChI=1S/C13H18N2O2/c1-17-12-6-4-11(5-7-12)15-9-3-2-8-14-10-13(15)16/h4-7,14H,2-3,8-10H2,1H3
InChIKeyNYYRVRIOWDQGGT-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)piperazin-2-one
CID 15400020
1-(4-propan-2-yloxyphenyl)-1,4-diazocan-2-one
CID 117016200
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
1-(3,4-dimethoxyphenyl)-1,4-diazepan-2-one
CID 82297454
1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione
CID 64955856
1-(4-propan-2-yloxyphenyl)piperazin-2-one
CID 64567030
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
1-(5-chloro-2-methoxyphenyl)-1,4-diazocan-2-one
CID 117016190
ethane;1-(4-methylphenyl)piperazin-2-one
CID 142224264
1-(4-iodophenyl)piperazin-2-one
CID 86225191
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 141435084
1-(5-methylfuran-2-yl)-1,4-diazepan-2-one
CID 115101870

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-1,4-diazocan-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-1,4-diazocan-2-one (CID 117016195) is 1-(4-methoxyphenyl)-1,4-diazocan-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-1,4-diazocan-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-1,4-diazocan-2-one is COc1ccc(N2CCCCNCC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-1,4-diazocan-2-one?
The InChIKey is NYYRVRIOWDQGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-12-6-4-11(5-7-12)15-9-3-2-8-14-10-13(15)16/h4-7,14H,2-3,8-10H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-1,4-diazocan-2-one?
1-(4-methoxyphenyl)-1,4-diazocan-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-1,4-diazocan-2-one is sourced from PubChem (CID 117016195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).