1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one

C12H22N2O2 — CID 146415893

IUPAC1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
SMILESCCC(=O)N1CCCCN(C(=O)CC)CC1
InChIInChI=1S/C12H22N2O2/c1-3-11(15)13-7-5-6-8-14(10-9-13)12(16)4-2/h3-10H2,1-2H3
InChIKeyQHUFMZHUBYJLPY-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.26
Rot. Bonds2

About 1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one

1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one (PubChem CID 146415893) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
PubChem CID146415893
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
SMILESCCC(=O)N1CCCCN(C(=O)CC)CC1
InChIInChI=1S/C12H22N2O2/c1-3-11(15)13-7-5-6-8-14(10-9-13)12(16)4-2/h3-10H2,1-2H3
InChIKeyQHUFMZHUBYJLPY-UHFFFAOYSA-N
XLogP1.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)propan-1-one
CID 3613534
ethene;1-pyrrolidin-1-ylpropan-1-one
CID 158024233
methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
CID 158630764
formic acid;1-pyrrolidin-1-ylpropan-1-one
CID 142278991
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 158896356
1-(4-propanoyl-1,4-diazepan-1-yl)butane-1,3-dione
CID 54916137
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796478
2-methyl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 61072901
1-(4-sulfanylpiperazin-1-yl)propan-1-one
CID 123150582
2-chloro-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 61041301
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020

Frequently Asked Questions

What is the IUPAC name of 1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one?
The IUPAC name of 1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one (CID 146415893) is 1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one?
The canonical SMILES for 1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one is CCC(=O)N1CCCCN(C(=O)CC)CC1.
What is the InChIKey of 1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one?
The InChIKey is QHUFMZHUBYJLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-11(15)13-7-5-6-8-14(10-9-13)12(16)4-2/h3-10H2,1-2H3.
What are the key properties of 1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one?
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one has a molecular weight of 226.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one is sourced from PubChem (CID 146415893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).