4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide

C20H24FN3O — CID 27534631

IUPAC4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O/c21-18-10-4-5-11-19(18)23-13-15-24(16-14-23)20(25)22-12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2,(H,22,25)
InChIKeyLBCXGFJAEZHQDM-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.29
Rot. Bonds5

About 4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide

4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide (PubChem CID 27534631) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
PubChem CID27534631
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O/c21-18-10-4-5-11-19(18)23-13-15-24(16-14-23)20(25)22-12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2,(H,22,25)
InChIKeyLBCXGFJAEZHQDM-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

4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 84526356
4-[[4-(2-fluorophenyl)-1,4-diazepane-1-carbonyl]amino]butanoic acid
CID 122022378
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108898587
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412
3-[4-(2-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(2-phenylethyl)propanamide
CID 108963817
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108990215
4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 27517573
N-[2-(2-fluorophenyl)ethyl]-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109022
N-[(3-bromophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108898979
4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110204
N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110182

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide (CID 27534631) is 4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide is O=C(NCCCc1ccccc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
The InChIKey is LBCXGFJAEZHQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-18-10-4-5-11-19(18)23-13-15-24(16-14-23)20(25)22-12-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2,(H,22,25).
What are the key properties of 4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide?
4-(2-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-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 27534631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).