azepan-1-yl-(3-methoxyphenyl)methanone

C14H19NO2 — CID 669437

IUPACazepan-1-yl-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C14H19NO2/c1-17-13-8-6-7-12(11-13)14(16)15-9-4-2-3-5-10-15/h6-8,11H,2-5,9-10H2,1H3
InChIKeyDRWQBLSKGAPVDG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.71
Rot. Bonds2

About azepan-1-yl-(3-methoxyphenyl)methanone

azepan-1-yl-(3-methoxyphenyl)methanone (PubChem CID 669437) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is azepan-1-yl-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(3-methoxyphenyl)methanone
PubChem CID669437
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameazepan-1-yl-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C14H19NO2/c1-17-13-8-6-7-12(11-13)14(16)15-9-4-2-3-5-10-15/h6-8,11H,2-5,9-10H2,1H3
InChIKeyDRWQBLSKGAPVDG-UHFFFAOYSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312
[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone
CID 108543910
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone
CID 110394605
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
(3-bromopiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 80660380
4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 38046638
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(3-methoxyphenyl)methanone?
The IUPAC name of azepan-1-yl-(3-methoxyphenyl)methanone (CID 669437) is azepan-1-yl-(3-methoxyphenyl)methanone.
What is the SMILES notation for azepan-1-yl-(3-methoxyphenyl)methanone?
The canonical SMILES for azepan-1-yl-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of azepan-1-yl-(3-methoxyphenyl)methanone?
The InChIKey is DRWQBLSKGAPVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-13-8-6-7-12(11-13)14(16)15-9-4-2-3-5-10-15/h6-8,11H,2-5,9-10H2,1H3.
What are the key properties of azepan-1-yl-(3-methoxyphenyl)methanone?
azepan-1-yl-(3-methoxyphenyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(3-methoxyphenyl)methanone is sourced from PubChem (CID 669437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).