4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide

C22H28FN3O — CID 42224820

IUPAC4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
SMILESCCc1ccc(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H28FN3O/c1-2-18-4-6-19(7-5-18)22(27)24-12-3-13-25-14-16-26(17-15-25)21-10-8-20(23)9-11-21/h4-11H,2-3,12-17H2,1H3,(H,24,27)
InChIKeyFBCLUGZJQVTEES-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.33
Rot. Bonds7

About 4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide

4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide (PubChem CID 42224820) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is 4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
PubChem CID42224820
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
SMILESCCc1ccc(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H28FN3O/c1-2-18-4-6-19(7-5-18)22(27)24-12-3-13-25-14-16-26(17-15-25)21-10-8-20(23)9-11-21/h4-11H,2-3,12-17H2,1H3,(H,24,27)
InChIKeyFBCLUGZJQVTEES-UHFFFAOYSA-N
XLogP3.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224898
N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46043618
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876365
4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448613
N-[2-(dimethylamino)ethyl]-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46043620
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 31568208
N'-cyclopropyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390559
4-chloro-N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 34989376
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3,4-difluorobenzamide
CID 42273607
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 42224892

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of 4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide (CID 42224820) is 4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide is CCc1ccc(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is FBCLUGZJQVTEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-2-18-4-6-19(7-5-18)22(27)24-12-3-13-25-14-16-26(17-15-25)21-10-8-20(23)9-11-21/h4-11H,2-3,12-17H2,1H3,(H,24,27).
What are the key properties of 4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide?
4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 369.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 42224820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).