cyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone

C18H26N2O2 — CID 155983969

IUPACcyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
SMILESO=C(C1CCCCC1)N1CCOCC(Cc2ccccn2)C1
InChIInChI=1S/C18H26N2O2/c21-18(16-6-2-1-3-7-16)20-10-11-22-14-15(13-20)12-17-8-4-5-9-19-17/h4-5,8-9,15-16H,1-3,6-7,10-14H2
InChIKeyAQEFNSQTRINQBL-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.68
Rot. Bonds3

About cyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone

cyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone (PubChem CID 155983969) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is cyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
PubChem CID155983969
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Namecyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
SMILESO=C(C1CCCCC1)N1CCOCC(Cc2ccccn2)C1
InChIInChI=1S/C18H26N2O2/c21-18(16-6-2-1-3-7-16)20-10-11-22-14-15(13-20)12-17-8-4-5-9-19-17/h4-5,8-9,15-16H,1-3,6-7,10-14H2
InChIKeyAQEFNSQTRINQBL-UHFFFAOYSA-N
XLogP2.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 95845794
pyridin-2-yl-[(6S)-6-(pyrimidin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124961736
(6S)-4-benzyl-6-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 125016191
cyclohexyl-[4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 110252411
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
[(3aS,6aR)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[(3S)-oxolan-3-yl]methanone
CID 97362548
2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
2-(cyclohexylmethyl)pyridine
CID 14762660
azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844
cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52507166
pyridin-3-yl-[(6R)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 95848103
(2-methyl-3-pyridinyl)-[(6R)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124989259

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The IUPAC name of cyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone (CID 155983969) is cyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for cyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for cyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone is O=C(C1CCCCC1)N1CCOCC(Cc2ccccn2)C1.
What is the InChIKey of cyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone?
The InChIKey is AQEFNSQTRINQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-18(16-6-2-1-3-7-16)20-10-11-22-14-15(13-20)12-17-8-4-5-9-19-17/h4-5,8-9,15-16H,1-3,6-7,10-14H2.
What are the key properties of cyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone?
cyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 155983969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).