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

C27H38FN3O3 — CID 142976559

IUPAC2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide;N-hydroxyformamide
SMILESCCCCCCCN(C(=O)Cc1ccc(F)cc1)c1ccc(N2CCCCC2)cc1.O=CNO
InChIInChI=1S/C26H35FN2O.CH3NO2/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;3-1-2-4/h10-17H,2-9,18-21H2,1H3;1,4H,(H,2,3)
InChIKeyQRDPHFUWXUPXJK-UHFFFAOYSA-N
MW471.62 g/mol
LogP5.48
Rot. Bonds11

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

2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide;N-hydroxyformamide (PubChem CID 142976559) has the molecular formula C27H38FN3O3 and a molecular weight of 471.62 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide;N-hydroxyformamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide;N-hydroxyformamide
PubChem CID142976559
Molecular FormulaC27H38FN3O3
Molecular Weight471.62 g/mol
Exact Mass471.29
IUPAC Name2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide;N-hydroxyformamide
SMILESCCCCCCCN(C(=O)Cc1ccc(F)cc1)c1ccc(N2CCCCC2)cc1.O=CNO
InChIInChI=1S/C26H35FN2O.CH3NO2/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;3-1-2-4/h10-17H,2-9,18-21H2,1H3;1,4H,(H,2,3)
InChIKeyQRDPHFUWXUPXJK-UHFFFAOYSA-N
XLogP5.48
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.62
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 142976560
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113062385
(E)-3-[4-(azepan-1-yl)phenyl]-N'-[2-(4-fluorophenyl)acetyl]prop-2-enehydrazide
CID 9161760
N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclohexanecarboxamide
CID 142976567
N-[4-(4-fluorophenyl)piperazin-1-yl]hexadecanamide
CID 46230417
N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 109002192
2-(4-fluorophenyl)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 126242971
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
N-butyl-3-(4-piperidin-1-ylphenyl)propanamide
CID 110647332
N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide
CID 110650708
1,3-bis[4-(hydroxymethyl)phenyl]-1,3-dipentylurea
CID 129120364

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide;N-hydroxyformamide?
The IUPAC name of 2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide;N-hydroxyformamide (CID 142976559) is 2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide;N-hydroxyformamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide;N-hydroxyformamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide;N-hydroxyformamide is CCCCCCCN(C(=O)Cc1ccc(F)cc1)c1ccc(N2CCCCC2)cc1.O=CNO.
What is the InChIKey of 2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide;N-hydroxyformamide?
The InChIKey is QRDPHFUWXUPXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O.CH3NO2/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;3-1-2-4/h10-17H,2-9,18-21H2,1H3;1,4H,(H,2,3).
What are the key properties of 2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide;N-hydroxyformamide?
2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide;N-hydroxyformamide has a molecular weight of 471.62 g/mol, XLogP of 5.48, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide;N-hydroxyformamide is sourced from PubChem (CID 142976559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).