2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide

C26H32FN3O2 — CID 22038327

IUPAC2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C26H32FN3O2/c1-32-17-12-28-26(31)19-21-2-5-22-9-16-30(25(22)18-21)24-10-14-29(15-11-24)13-8-20-3-6-23(27)7-4-20/h2-7,9,16,18,24H,8,10-15,17,19H2,1H3,(H,28,31)
InChIKeyCWMNPASDDDSZCN-UHFFFAOYSA-N
MW437.56 g/mol
LogP3.97
Rot. Bonds9

About 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide

2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 22038327) has the molecular formula C26H32FN3O2 and a molecular weight of 437.56 g/mol. Its IUPAC name is 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide
PubChem CID22038327
Molecular FormulaC26H32FN3O2
Molecular Weight437.56 g/mol
Exact Mass437.25
IUPAC Name2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C26H32FN3O2/c1-32-17-12-28-26(31)19-21-2-5-22-9-16-30(25(22)18-21)24-10-14-29(15-11-24)13-8-20-3-6-23(27)7-4-20/h2-7,9,16,18,24H,8,10-15,17,19H2,1H3,(H,28,31)
InChIKeyCWMNPASDDDSZCN-UHFFFAOYSA-N
XLogP3.97
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 53.97
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-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide
CID 22037940
3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide
CID 23377466
N-cyano-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide
CID 87903495
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid
CID 22038162
1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole
CID 22038151
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde
CID 22038296
1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide
CID 22038244
6-bromo-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]indole
CID 139805683
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide
CID 22038241
bis[6-[2-[(1-ethylpiperidin-4-yl)methylamino]-2-oxoethyl]-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-3-yl] oxalate
CID 87903484
bis[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]indol-3-yl] oxalate
CID 87903482
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide (CID 22038327) is 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.
What is the InChIKey of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is CWMNPASDDDSZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O2/c1-32-17-12-28-26(31)19-21-2-5-22-9-16-30(25(22)18-21)24-10-14-29(15-11-24)13-8-20-3-6-23(27)7-4-20/h2-7,9,16,18,24H,8,10-15,17,19H2,1H3,(H,28,31).
What are the key properties of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide?
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 437.56 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 22038327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).