4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide

C20H24FN3O — CID 84526356

IUPAC4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O/c21-18-8-10-19(11-9-18)23-13-15-24(16-14-23)20(25)22-12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2,(H,22,25)
InChIKeyHAMJOYRLYNYOGS-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.29
Rot. Bonds5

About 4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide

4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 84526356) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID84526356
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O/c21-18-8-10-19(11-9-18)23-13-15-24(16-14-23)20(25)22-12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2,(H,22,25)
InChIKeyHAMJOYRLYNYOGS-UHFFFAOYSA-N
XLogP3.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide
CID 108985750
4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110204
N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110182
4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 27534631
N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113108912
N-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108891864
4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110199
3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxo-N-(2-phenylethyl)propanamide
CID 108947922
4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110202
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-4-phenylbutanamide
CID 42175426
4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide
CID 108895046

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide (CID 84526356) is 4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide is O=C(NCCCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is HAMJOYRLYNYOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-18-8-10-19(11-9-18)23-13-15-24(16-14-23)20(25)22-12-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11H,4,7,12-16H2,(H,22,25).
What are the key properties of 4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 84526356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).