azepan-1-yl-(4-methoxycyclohexyl)methanone

C14H25NO2 — CID 112530492

IUPACazepan-1-yl-(4-methoxycyclohexyl)methanone
SMILESCOC1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H25NO2/c1-17-13-8-6-12(7-9-13)14(16)15-10-4-2-3-5-11-15/h12-13H,2-11H2,1H3
InChIKeyXLCZJRPHZLMDNT-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.59
Rot. Bonds2

About azepan-1-yl-(4-methoxycyclohexyl)methanone

azepan-1-yl-(4-methoxycyclohexyl)methanone (PubChem CID 112530492) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is azepan-1-yl-(4-methoxycyclohexyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(4-methoxycyclohexyl)methanone
PubChem CID112530492
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameazepan-1-yl-(4-methoxycyclohexyl)methanone
SMILESCOC1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C14H25NO2/c1-17-13-8-6-12(7-9-13)14(16)15-10-4-2-3-5-11-15/h12-13H,2-11H2,1H3
InChIKeyXLCZJRPHZLMDNT-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxypiperidin-1-yl)-(4-methoxycyclohexyl)methanone
CID 112531209
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone
CID 170583194
1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683725
azepan-1-yl-(4-prop-2-ynoxycyclohexyl)methanone
CID 140771736
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
3-(4-methoxypiperidine-1-carbonyl)cyclobutan-1-one
CID 171109226
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 60700298
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(4-methoxycyclohexyl)methanone?
The IUPAC name of azepan-1-yl-(4-methoxycyclohexyl)methanone (CID 112530492) is azepan-1-yl-(4-methoxycyclohexyl)methanone.
What is the SMILES notation for azepan-1-yl-(4-methoxycyclohexyl)methanone?
The canonical SMILES for azepan-1-yl-(4-methoxycyclohexyl)methanone is COC1CCC(C(=O)N2CCCCCC2)CC1.
What is the InChIKey of azepan-1-yl-(4-methoxycyclohexyl)methanone?
The InChIKey is XLCZJRPHZLMDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-17-13-8-6-12(7-9-13)14(16)15-10-4-2-3-5-11-15/h12-13H,2-11H2,1H3.
What are the key properties of azepan-1-yl-(4-methoxycyclohexyl)methanone?
azepan-1-yl-(4-methoxycyclohexyl)methanone has a molecular weight of 239.36 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(4-methoxycyclohexyl)methanone is sourced from PubChem (CID 112530492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).