2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide

C22H27FN2O2 — CID 16890198

IUPAC2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide
SMILESO=C(COc1ccccc1F)NCCCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H27FN2O2/c23-20-8-2-3-9-21(20)27-17-22(26)24-14-6-7-18-10-12-19(13-11-18)25-15-4-1-5-16-25/h2-3,8-13H,1,4-7,14-17H2,(H,24,26)
InChIKeyKHARXCALKIUHCA-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.94
Rot. Bonds8

About 2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide

2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide (PubChem CID 16890198) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide
PubChem CID16890198
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide
SMILESO=C(COc1ccccc1F)NCCCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H27FN2O2/c23-20-8-2-3-9-21(20)27-17-22(26)24-14-6-7-18-10-12-19(13-11-18)25-15-4-1-5-16-25/h2-3,8-13H,1,4-7,14-17H2,(H,24,26)
InChIKeyKHARXCALKIUHCA-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892338
N-[3-(4-piperidin-1-ylphenyl)propyl]benzamide
CID 16890191
N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide
CID 16889785
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175267
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide
CID 48586236
N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide
CID 16889766
2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 90500606
2-(2,4-dichlorophenoxy)-N-[3-(4-morpholin-4-ylphenyl)propyl]acetamide
CID 16890044
N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109005175
2-naphthalen-2-yloxy-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 16889464
2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide (CID 16890198) is 2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide is O=C(COc1ccccc1F)NCCCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide?
The InChIKey is KHARXCALKIUHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c23-20-8-2-3-9-21(20)27-17-22(26)24-14-6-7-18-10-12-19(13-11-18)25-15-4-1-5-16-25/h2-3,8-13H,1,4-7,14-17H2,(H,24,26).
What are the key properties of 2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide?
2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide has a molecular weight of 370.47 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide is sourced from PubChem (CID 16890198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).