3-methoxy-2-methyl-4-naphthalen-2-yl-6-piperidin-1-ylbenzonitrile

C24H24N2O — CID 102382833

IUPAC3-methoxy-2-methyl-4-naphthalen-2-yl-6-piperidin-1-ylbenzonitrile
SMILESCOc1c(-c2ccc3ccccc3c2)cc(N2CCCCC2)c(C#N)c1C
InChIInChI=1S/C24H24N2O/c1-17-22(16-25)23(26-12-6-3-7-13-26)15-21(24(17)27-2)20-11-10-18-8-4-5-9-19(18)14-20/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3
InChIKeyCTKYWDYFJDWHET-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.69
Rot. Bonds3

About 3-methoxy-2-methyl-4-naphthalen-2-yl-6-piperidin-1-ylbenzonitrile

3-methoxy-2-methyl-4-naphthalen-2-yl-6-piperidin-1-ylbenzonitrile (PubChem CID 102382833) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-methoxy-2-methyl-4-naphthalen-2-yl-6-piperidin-1-ylbenzonitrile.

Molecular Properties

Compound Name3-methoxy-2-methyl-4-naphthalen-2-yl-6-piperidin-1-ylbenzonitrile
PubChem CID102382833
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name3-methoxy-2-methyl-4-naphthalen-2-yl-6-piperidin-1-ylbenzonitrile
SMILESCOc1c(-c2ccc3ccccc3c2)cc(N2CCCCC2)c(C#N)c1C
InChIInChI=1S/C24H24N2O/c1-17-22(16-25)23(26-12-6-3-7-13-26)15-21(24(17)27-2)20-11-10-18-8-4-5-9-19(18)14-20/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3
InChIKeyCTKYWDYFJDWHET-UHFFFAOYSA-N
XLogP5.69
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)-3-methoxy-2-phenyl-6-piperidin-1-ylbenzonitrile
CID 11711116
4-(4-methoxyphenyl)-2-methyl-6-piperidin-1-yl-3-[4-(trifluoromethyl)phenyl]benzonitrile
CID 102254959
7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile
CID 102290398
3-benzyl-2-methyl-4-phenyl-6-piperidin-1-ylbenzonitrile
CID 138966498
4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile
CID 102290405
2-(dimethoxymethyl)-4-phenyl-6-piperidin-1-ylbenzonitrile
CID 11221380
2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene
CID 10531028
2-amino-4-(4-methoxyphenyl)-5-methyl-6-piperidin-1-ylbenzene-1,3-dicarbonitrile
CID 44591730
5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930371
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
CID 45051409
6-(4-methylphenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
CID 11558406
3-ethyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-(6-piperidin-1-ylnaphthalen-2-yl)benzonitrile
CID 123978524

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-4-naphthalen-2-yl-6-piperidin-1-ylbenzonitrile?
The IUPAC name of 3-methoxy-2-methyl-4-naphthalen-2-yl-6-piperidin-1-ylbenzonitrile (CID 102382833) is 3-methoxy-2-methyl-4-naphthalen-2-yl-6-piperidin-1-ylbenzonitrile.
What is the SMILES notation for 3-methoxy-2-methyl-4-naphthalen-2-yl-6-piperidin-1-ylbenzonitrile?
The canonical SMILES for 3-methoxy-2-methyl-4-naphthalen-2-yl-6-piperidin-1-ylbenzonitrile is COc1c(-c2ccc3ccccc3c2)cc(N2CCCCC2)c(C#N)c1C.
What is the InChIKey of 3-methoxy-2-methyl-4-naphthalen-2-yl-6-piperidin-1-ylbenzonitrile?
The InChIKey is CTKYWDYFJDWHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-17-22(16-25)23(26-12-6-3-7-13-26)15-21(24(17)27-2)20-11-10-18-8-4-5-9-19(18)14-20/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3.
What are the key properties of 3-methoxy-2-methyl-4-naphthalen-2-yl-6-piperidin-1-ylbenzonitrile?
3-methoxy-2-methyl-4-naphthalen-2-yl-6-piperidin-1-ylbenzonitrile has a molecular weight of 356.47 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-4-naphthalen-2-yl-6-piperidin-1-ylbenzonitrile is sourced from PubChem (CID 102382833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).