1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one

C17H29NO2 — CID 79553595

IUPAC1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCCN1C(=O)C1CCCCCC1
InChIInChI=1S/C17H29NO2/c1-14(19)13-16-11-7-4-8-12-18(16)17(20)15-9-5-2-3-6-10-15/h15-16H,2-13H2,1H3
InChIKeyFVAVLOAUOIQNCA-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.71
Rot. Bonds3

About 1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one

1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one (PubChem CID 79553595) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one
PubChem CID79553595
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCCN1C(=O)C1CCCCCC1
InChIInChI=1S/C17H29NO2/c1-14(19)13-16-11-7-4-8-12-18(16)17(20)15-9-5-2-3-6-10-15/h15-16H,2-13H2,1H3
InChIKeyFVAVLOAUOIQNCA-UHFFFAOYSA-N
XLogP3.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,2-dimethylcyclopropanecarbonyl)azepan-2-yl]propan-2-one
CID 107001622
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
[2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63395604
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one
CID 79553061
1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one
CID 114457934
1-[1-(2-cyclohexylacetyl)azepan-2-yl]propan-2-one
CID 79552906
1-[1-(2,2-difluoroacetyl)azepan-2-yl]propan-2-one
CID 103513810
[2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 80660817
1-[1-(thiane-2-carbonyl)piperidin-2-yl]propan-2-one
CID 80594435
1-[1-(4-butylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538798
N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide
CID 79553142

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one?
The IUPAC name of 1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one (CID 79553595) is 1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one is CC(=O)CC1CCCCCN1C(=O)C1CCCCCC1.
What is the InChIKey of 1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one?
The InChIKey is FVAVLOAUOIQNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(19)13-16-11-7-4-8-12-18(16)17(20)15-9-5-2-3-6-10-15/h15-16H,2-13H2,1H3.
What are the key properties of 1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one?
1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one has a molecular weight of 279.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one is sourced from PubChem (CID 79553595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).