4-(2-methoxyphenyl)-1-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]butan-1-one

C22H28N2O2 — CID 143843793

IUPAC4-(2-methoxyphenyl)-1-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]butan-1-one
SMILESCOc1ccccc1CCCC(=O)c1cccc(C2CCN(C)CC2)n1
InChIInChI=1S/C22H28N2O2/c1-24-15-13-17(14-16-24)19-9-6-10-20(23-19)21(25)11-5-8-18-7-3-4-12-22(18)26-2/h3-4,6-7,9-10,12,17H,5,8,11,13-16H2,1-2H3
InChIKeyNSWJQUBZARNHBC-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.11
Rot. Bonds7

About 4-(2-methoxyphenyl)-1-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]butan-1-one

4-(2-methoxyphenyl)-1-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]butan-1-one (PubChem CID 143843793) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]butan-1-one.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]butan-1-one
PubChem CID143843793
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-(2-methoxyphenyl)-1-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]butan-1-one
SMILESCOc1ccccc1CCCC(=O)c1cccc(C2CCN(C)CC2)n1
InChIInChI=1S/C22H28N2O2/c1-24-15-13-17(14-16-24)19-9-6-10-20(23-19)21(25)11-5-8-18-7-3-4-12-22(18)26-2/h3-4,6-7,9-10,12,17H,5,8,11,13-16H2,1-2H3
InChIKeyNSWJQUBZARNHBC-UHFFFAOYSA-N
XLogP4.11
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-methoxyphenyl)-1-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]butan-1-one 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

3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid
CID 167016002
[4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808984
trimethylsilyl 4-(2-methoxyphenyl)butanoate
CID 584242
4-ethyl-5-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 56754576
N-[2-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 113218952
3-(2-methoxyphenyl)-1-[(3R)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 124963042
4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809660
N-[2-(2-methoxyphenyl)ethyl]-2-(1-methylpiperidin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 175591633
4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 86912723
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
3-[2-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 115005802
2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124941123

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]butan-1-one?
The IUPAC name of 4-(2-methoxyphenyl)-1-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]butan-1-one (CID 143843793) is 4-(2-methoxyphenyl)-1-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]butan-1-one.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]butan-1-one?
The canonical SMILES for 4-(2-methoxyphenyl)-1-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]butan-1-one is COc1ccccc1CCCC(=O)c1cccc(C2CCN(C)CC2)n1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]butan-1-one?
The InChIKey is NSWJQUBZARNHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-24-15-13-17(14-16-24)19-9-6-10-20(23-19)21(25)11-5-8-18-7-3-4-12-22(18)26-2/h3-4,6-7,9-10,12,17H,5,8,11,13-16H2,1-2H3.
What are the key properties of 4-(2-methoxyphenyl)-1-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]butan-1-one?
4-(2-methoxyphenyl)-1-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]butan-1-one has a molecular weight of 352.48 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]butan-1-one is sourced from PubChem (CID 143843793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).