azocan-1-yl-[4-(methylamino)phenyl]methanone

C15H22N2O — CID 62172991

IUPACazocan-1-yl-[4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2CCCCCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-16-14-9-7-13(8-10-14)15(18)17-11-5-3-2-4-6-12-17/h7-10,16H,2-6,11-12H2,1H3
InChIKeyVNVGIIZNBYYXKL-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.13
Rot. Bonds2

About azocan-1-yl-[4-(methylamino)phenyl]methanone

azocan-1-yl-[4-(methylamino)phenyl]methanone (PubChem CID 62172991) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is azocan-1-yl-[4-(methylamino)phenyl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[4-(methylamino)phenyl]methanone
PubChem CID62172991
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Nameazocan-1-yl-[4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2CCCCCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-16-14-9-7-13(8-10-14)15(18)17-11-5-3-2-4-6-12-17/h7-10,16H,2-6,11-12H2,1H3
InChIKeyVNVGIIZNBYYXKL-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze azocan-1-yl-[4-(methylamino)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
[4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone
CID 155525147
azepan-1-yl-(4-hydrazinylphenyl)methanone
CID 62249723
(4-hydroxy-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone
CID 81109311
1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea
CID 17279697
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 70790157
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
N-[4-(piperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 2995976
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440
2-methyl-2-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 62845824
(4-ethyl-4-methylpiperidin-1-yl)-[4-(methylamino)phenyl]methanone
CID 55160072

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[4-(methylamino)phenyl]methanone?
The IUPAC name of azocan-1-yl-[4-(methylamino)phenyl]methanone (CID 62172991) is azocan-1-yl-[4-(methylamino)phenyl]methanone.
What is the SMILES notation for azocan-1-yl-[4-(methylamino)phenyl]methanone?
The canonical SMILES for azocan-1-yl-[4-(methylamino)phenyl]methanone is CNc1ccc(C(=O)N2CCCCCCC2)cc1.
What is the InChIKey of azocan-1-yl-[4-(methylamino)phenyl]methanone?
The InChIKey is VNVGIIZNBYYXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16-14-9-7-13(8-10-14)15(18)17-11-5-3-2-4-6-12-17/h7-10,16H,2-6,11-12H2,1H3.
What are the key properties of azocan-1-yl-[4-(methylamino)phenyl]methanone?
azocan-1-yl-[4-(methylamino)phenyl]methanone has a molecular weight of 246.35 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[4-(methylamino)phenyl]methanone is sourced from PubChem (CID 62172991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).