N-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide

C21H26FN3O — CID 109000353

IUPACN-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
SMILESO=C(CNc1ccc(N2CCCCC2)cc1)NCCc1ccccc1F
InChIInChI=1S/C21H26FN3O/c22-20-7-3-2-6-17(20)12-13-23-21(26)16-24-18-8-10-19(11-9-18)25-14-4-1-5-15-25/h2-3,6-11,24H,1,4-5,12-16H2,(H,23,26)
InChIKeyFPGNTQUMNJQOQA-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.59
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide

N-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide (PubChem CID 109000353) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
PubChem CID109000353
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
SMILESO=C(CNc1ccc(N2CCCCC2)cc1)NCCc1ccccc1F
InChIInChI=1S/C21H26FN3O/c22-20-7-3-2-6-17(20)12-13-23-21(26)16-24-18-8-10-19(11-9-18)25-14-4-1-5-15-25/h2-3,6-11,24H,1,4-5,12-16H2,(H,23,26)
InChIKeyFPGNTQUMNJQOQA-UHFFFAOYSA-N
XLogP3.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 37222450
N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108985263
N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109005175
N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008370
2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000392
N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 108994702
3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 109020961
3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109020960
2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000360
N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674409
2-(3-bromo-4-methylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000327
N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 60647120

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide (CID 109000353) is N-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide is O=C(CNc1ccc(N2CCCCC2)cc1)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide?
The InChIKey is FPGNTQUMNJQOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c22-20-7-3-2-6-17(20)12-13-23-21(26)16-24-18-8-10-19(11-9-18)25-14-4-1-5-15-25/h2-3,6-11,24H,1,4-5,12-16H2,(H,23,26).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide?
N-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide is sourced from PubChem (CID 109000353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).