2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone

C18H21NO — CID 116685103

IUPAC2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone
SMILESCC1CCNC(CC(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C18H21NO/c1-13-9-10-19-15(11-13)12-18(20)17-8-4-6-14-5-2-3-7-16(14)17/h2-8,13,15,19H,9-12H2,1H3
InChIKeyZYZUXVVYIQKNCF-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.80
Rot. Bonds3

About 2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone

2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone (PubChem CID 116685103) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone.

Molecular Properties

Compound Name2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone
PubChem CID116685103
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone
SMILESCC1CCNC(CC(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C18H21NO/c1-13-9-10-19-15(11-13)12-18(20)17-8-4-6-14-5-2-3-7-16(14)17/h2-8,13,15,19H,9-12H2,1H3
InChIKeyZYZUXVVYIQKNCF-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone 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

2-(6-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone
CID 116685105
2-(4-methylpiperidin-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 116685051
1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one
CID 116563794
2-(azetidin-2-yl)-1-(2-fluorophenyl)ethanone
CID 84664669
1-(5-fluoro-2-pyridinyl)-2-(4-methylpiperidin-2-yl)ethanone
CID 116685419
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-naphthalen-1-ylethanone
CID 102893582
3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one
CID 116685291
1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
CID 84684796
2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone
CID 79538703
2-(cyclopropylamino)-1-naphthalen-1-ylethanone
CID 116555226
1-naphthalen-1-yl-3-piperidin-3-ylbutan-1-one
CID 116594477
1-(1H-indol-3-yl)-2-pyrrolidin-2-ylethanone
CID 116916989

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone?
The IUPAC name of 2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone (CID 116685103) is 2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone.
What is the SMILES notation for 2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone?
The canonical SMILES for 2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone is CC1CCNC(CC(=O)c2cccc3ccccc23)C1.
What is the InChIKey of 2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone?
The InChIKey is ZYZUXVVYIQKNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-9-10-19-15(11-13)12-18(20)17-8-4-6-14-5-2-3-7-16(14)17/h2-8,13,15,19H,9-12H2,1H3.
What are the key properties of 2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone?
2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone has a molecular weight of 267.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-2-yl)-1-naphthalen-1-ylethanone is sourced from PubChem (CID 116685103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).