2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide

C26H35FN2O — CID 142976560

IUPAC2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCCCCCCCN(C(=O)Cc1ccc(F)cc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C26H35FN2O/c1-2-3-4-5-9-20-29(26(30)21-22-10-12-23(27)13-11-22)25-16-14-24(15-17-25)28-18-7-6-8-19-28/h10-17H,2-9,18-21H2,1H3
InChIKeyUNQIZKRBXRDIJV-UHFFFAOYSA-N
MW410.58 g/mol
LogP6.36
Rot. Bonds10

About 2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide

2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 142976560) has the molecular formula C26H35FN2O and a molecular weight of 410.58 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID142976560
Molecular FormulaC26H35FN2O
Molecular Weight410.58 g/mol
Exact Mass410.27
IUPAC Name2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCCCCCCCN(C(=O)Cc1ccc(F)cc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C26H35FN2O/c1-2-3-4-5-9-20-29(26(30)21-22-10-12-23(27)13-11-22)25-16-14-24(15-17-25)28-18-7-6-8-19-28/h10-17H,2-9,18-21H2,1H3
InChIKeyUNQIZKRBXRDIJV-UHFFFAOYSA-N
XLogP6.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.58
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide;N-hydroxyformamide
CID 142976559
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113062385
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
1,3-bis[4-(hydroxymethyl)phenyl]-1,3-dipentylurea
CID 129120364
N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 109002192
1-(4-pentylphenyl)pyrrolidine
CID 168512151
N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113125379
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide
CID 107030902
N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide
CID 46230417
2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride
CID 119270984

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide (CID 142976560) is 2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide is CCCCCCCN(C(=O)Cc1ccc(F)cc1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is UNQIZKRBXRDIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O/c1-2-3-4-5-9-20-29(26(30)21-22-10-12-23(27)13-11-22)25-16-14-24(15-17-25)28-18-7-6-8-19-28/h10-17H,2-9,18-21H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide?
2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 410.58 g/mol, XLogP of 6.36, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 142976560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).