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

C20H24FN3O2 — CID 18078500

IUPACN-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCN(C(C)C(=O)Nc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H24FN3O2/c1-15(20(25)22-17-5-3-16(21)4-6-17)23-11-13-24(14-12-23)18-7-9-19(26-2)10-8-18/h3-10,15H,11-14H2,1-2H3,(H,22,25)
InChIKeyXPGYDGYOQCBYAI-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.98
Rot. Bonds5

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

N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 18078500) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID18078500
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCN(C(C)C(=O)Nc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H24FN3O2/c1-15(20(25)22-17-5-3-16(21)4-6-17)23-11-13-24(14-12-23)18-7-9-19(26-2)10-8-18/h3-10,15H,11-14H2,1-2H3,(H,22,25)
InChIKeyXPGYDGYOQCBYAI-UHFFFAOYSA-N
XLogP2.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 18078494
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
(2R)-N-(3-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461838
(2R)-N-(3-fluoro-4-methylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461953
N-(3-chloro-4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18093944
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-ylpropanamide
CID 2108911
2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55829823
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 1439451
N-(3,5-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42998885
N-(6-amino-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 119516115
(2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461848
N-(3-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038214

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide (CID 18078500) is N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccc(N2CCN(C(C)C(=O)Nc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is XPGYDGYOQCBYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-15(20(25)22-17-5-3-16(21)4-6-17)23-11-13-24(14-12-23)18-7-9-19(26-2)10-8-18/h3-10,15H,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 357.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 18078500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).