N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide

C20H24FN3O — CID 46043327

IUPACN-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1ccc(N2CCN(C(C)C(=O)Nc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H24FN3O/c1-15-3-9-19(10-4-15)24-13-11-23(12-14-24)16(2)20(25)22-18-7-5-17(21)6-8-18/h3-10,16H,11-14H2,1-2H3,(H,22,25)
InChIKeyOKAWTBANWWODLS-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.28
Rot. Bonds4

About N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide

N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide (PubChem CID 46043327) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
PubChem CID46043327
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1ccc(N2CCN(C(C)C(=O)Nc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H24FN3O/c1-15-3-9-19(10-4-15)24-13-11-23(12-14-24)16(2)20(25)22-18-7-5-17(21)6-8-18/h3-10,16H,11-14H2,1-2H3,(H,22,25)
InChIKeyOKAWTBANWWODLS-UHFFFAOYSA-N
XLogP3.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18078500
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 18078494
(2R)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431310
N-(6-amino-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 119516115
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-ylpropanamide
CID 2108911
N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038214
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9431483
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
(2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 92987466
N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583
(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide (CID 46043327) is N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide is Cc1ccc(N2CCN(C(C)C(=O)Nc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide?
The InChIKey is OKAWTBANWWODLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-15-3-9-19(10-4-15)24-13-11-23(12-14-24)16(2)20(25)22-18-7-5-17(21)6-8-18/h3-10,16H,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide?
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide has a molecular weight of 341.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 46043327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).