2-(3-fluorophenyl)-N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]acetamide

C26H35FN2O3 — CID 143622790

IUPAC2-(3-fluorophenyl)-N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]acetamide
SMILESCOCCOc1ccc(C(C)N2CCC(NC(=O)Cc3cccc(F)c3)CC2)c(C)c1C
InChIInChI=1S/C26H35FN2O3/c1-18-19(2)25(32-15-14-31-4)9-8-24(18)20(3)29-12-10-23(11-13-29)28-26(30)17-21-6-5-7-22(27)16-21/h5-9,16,20,23H,10-15,17H2,1-4H3,(H,28,30)
InChIKeyTUGSFUHKTYLFNU-UHFFFAOYSA-N
MW442.58 g/mol
LogP4.35
Rot. Bonds9

About 2-(3-fluorophenyl)-N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]acetamide

2-(3-fluorophenyl)-N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]acetamide (PubChem CID 143622790) has the molecular formula C26H35FN2O3 and a molecular weight of 442.58 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]acetamide
PubChem CID143622790
Molecular FormulaC26H35FN2O3
Molecular Weight442.58 g/mol
Exact Mass442.26
IUPAC Name2-(3-fluorophenyl)-N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]acetamide
SMILESCOCCOc1ccc(C(C)N2CCC(NC(=O)Cc3cccc(F)c3)CC2)c(C)c1C
InChIInChI=1S/C26H35FN2O3/c1-18-19(2)25(32-15-14-31-4)9-8-24(18)20(3)29-12-10-23(11-13-29)28-26(30)17-21-6-5-7-22(27)16-21/h5-9,16,20,23H,10-15,17H2,1-4H3,(H,28,30)
InChIKeyTUGSFUHKTYLFNU-UHFFFAOYSA-N
XLogP4.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]cycloheptanecarboxamide
CID 71124949
2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358
2-[3-[4-(dimethylamino)butoxy]-5-methoxyphenyl]-N-[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-yl]acetamide
CID 143622611
2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
CID 51093724
methyl 4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 115617162
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]propanamide
CID 110822825
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-fluorophenyl)acetamide
CID 110822279
N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
CID 114296854
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 95296221
ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate
CID 47906774

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]acetamide (CID 143622790) is 2-(3-fluorophenyl)-N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]acetamide is COCCOc1ccc(C(C)N2CCC(NC(=O)Cc3cccc(F)c3)CC2)c(C)c1C.
What is the InChIKey of 2-(3-fluorophenyl)-N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]acetamide?
The InChIKey is TUGSFUHKTYLFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O3/c1-18-19(2)25(32-15-14-31-4)9-8-24(18)20(3)29-12-10-23(11-13-29)28-26(30)17-21-6-5-7-22(27)16-21/h5-9,16,20,23H,10-15,17H2,1-4H3,(H,28,30).
What are the key properties of 2-(3-fluorophenyl)-N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]acetamide?
2-(3-fluorophenyl)-N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]acetamide has a molecular weight of 442.58 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[1-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 143622790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).