2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide

C22H32N4O3 — CID 155991971

IUPAC2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)CN2CCCC(O)(COc3ccc(C)c(C)c3)C2)c(C)n1
InChIInChI=1S/C22H32N4O3/c1-5-26-12-20(18(4)24-26)23-21(27)13-25-10-6-9-22(28,14-25)15-29-19-8-7-16(2)17(3)11-19/h7-8,11-12,28H,5-6,9-10,13-15H2,1-4H3,(H,23,27)
InChIKeyRTXNKTHELSDOLZ-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.67
Rot. Bonds7

About 2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide

2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide (PubChem CID 155991971) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide
PubChem CID155991971
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide
SMILESCCn1cc(NC(=O)CN2CCCC(O)(COc3ccc(C)c(C)c3)C2)c(C)n1
InChIInChI=1S/C22H32N4O3/c1-5-26-12-20(18(4)24-26)23-21(27)13-25-10-6-9-22(28,14-25)15-29-19-8-7-16(2)17(3)11-19/h7-8,11-12,28H,5-6,9-10,13-15H2,1-4H3,(H,23,27)
InChIKeyRTXNKTHELSDOLZ-UHFFFAOYSA-N
XLogP2.67
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide 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

N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]acetamide
CID 155991909
N-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991987
2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 155991968
N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991884
2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 155991983
N-(1,5-dimethylpyrazol-4-yl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991889
N-[2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-oxoethyl]acetamide
CID 155991676
2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 125006358
(1-ethyl-3-methylpyrazol-4-yl)-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]methanone
CID 155990942
2-[(3S)-3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(2-phenylethyl)acetamide
CID 129453545
N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155990783
1-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 155991595

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide (CID 155991971) is 2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide is CCn1cc(NC(=O)CN2CCCC(O)(COc3ccc(C)c(C)c3)C2)c(C)n1.
What is the InChIKey of 2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide?
The InChIKey is RTXNKTHELSDOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-5-26-12-20(18(4)24-26)23-21(27)13-25-10-6-9-22(28,14-25)15-29-19-8-7-16(2)17(3)11-19/h7-8,11-12,28H,5-6,9-10,13-15H2,1-4H3,(H,23,27).
What are the key properties of 2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide?
2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide has a molecular weight of 400.52 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 155991971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).