azepan-1-yl-[3-(dimethylamino)phenyl]methanone

C15H22N2O — CID 23857554

IUPACazepan-1-yl-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C15H22N2O/c1-16(2)14-9-7-8-13(12-14)15(18)17-10-5-3-4-6-11-17/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeySTPFXRUGLXNPHQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.77
Rot. Bonds2

About azepan-1-yl-[3-(dimethylamino)phenyl]methanone

azepan-1-yl-[3-(dimethylamino)phenyl]methanone (PubChem CID 23857554) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is azepan-1-yl-[3-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[3-(dimethylamino)phenyl]methanone
PubChem CID23857554
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Nameazepan-1-yl-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C15H22N2O/c1-16(2)14-9-7-8-13(12-14)15(18)17-10-5-3-4-6-11-17/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeySTPFXRUGLXNPHQ-UHFFFAOYSA-N
XLogP2.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[3-(dimethylamino)benzoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807298
1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041690
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413
(3-bromopiperidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80660078
[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 110365155
3-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 109056729
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104909
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 51094004
[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585104
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592
methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
CID 47340246
[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94014765

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[3-(dimethylamino)phenyl]methanone?
The IUPAC name of azepan-1-yl-[3-(dimethylamino)phenyl]methanone (CID 23857554) is azepan-1-yl-[3-(dimethylamino)phenyl]methanone.
What is the SMILES notation for azepan-1-yl-[3-(dimethylamino)phenyl]methanone?
The canonical SMILES for azepan-1-yl-[3-(dimethylamino)phenyl]methanone is CN(C)c1cccc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of azepan-1-yl-[3-(dimethylamino)phenyl]methanone?
The InChIKey is STPFXRUGLXNPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16(2)14-9-7-8-13(12-14)15(18)17-10-5-3-4-6-11-17/h7-9,12H,3-6,10-11H2,1-2H3.
What are the key properties of azepan-1-yl-[3-(dimethylamino)phenyl]methanone?
azepan-1-yl-[3-(dimethylamino)phenyl]methanone has a molecular weight of 246.35 g/mol, XLogP of 2.77, 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-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 23857554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).