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

C13H24N2O2 — CID 84702052

IUPACazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
SMILESCOC1(C(=O)N2CCCCCC2)CCNCC1
InChIInChI=1S/C13H24N2O2/c1-17-13(6-8-14-9-7-13)12(16)15-10-4-2-3-5-11-15/h14H,2-11H2,1H3
InChIKeyKBMRVVWYGZALGP-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds2

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

azepan-1-yl-(4-methoxypiperidin-4-yl)methanone (PubChem CID 84702052) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is azepan-1-yl-(4-methoxypiperidin-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
PubChem CID84702052
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nameazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
SMILESCOC1(C(=O)N2CCCCCC2)CCNCC1
InChIInChI=1S/C13H24N2O2/c1-17-13(6-8-14-9-7-13)12(16)15-10-4-2-3-5-11-15/h14H,2-11H2,1H3
InChIKeyKBMRVVWYGZALGP-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 113265250
(4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119803723
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119859716
[4-[(dimethylamino)methyl]piperidin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119852056
(4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119894734
(4-methoxypiperidin-4-yl)-(4-propoxyazepan-1-yl)methanone
CID 119780028
azepan-1-yl-(4-methylpiperidin-4-yl)methanone
CID 63121497
(4-fluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119710373
(4-methoxypiperidin-4-yl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone
CID 119779842
(4-methoxypiperidin-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119838363
(4-fluorophenyl)-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 119798421

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(4-methoxypiperidin-4-yl)methanone?
The IUPAC name of azepan-1-yl-(4-methoxypiperidin-4-yl)methanone (CID 84702052) is azepan-1-yl-(4-methoxypiperidin-4-yl)methanone.
What is the SMILES notation for azepan-1-yl-(4-methoxypiperidin-4-yl)methanone?
The canonical SMILES for azepan-1-yl-(4-methoxypiperidin-4-yl)methanone is COC1(C(=O)N2CCCCCC2)CCNCC1.
What is the InChIKey of azepan-1-yl-(4-methoxypiperidin-4-yl)methanone?
The InChIKey is KBMRVVWYGZALGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-17-13(6-8-14-9-7-13)12(16)15-10-4-2-3-5-11-15/h14H,2-11H2,1H3.
What are the key properties of azepan-1-yl-(4-methoxypiperidin-4-yl)methanone?
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(4-methoxypiperidin-4-yl)methanone is sourced from PubChem (CID 84702052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).