4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide

C23H30FN3O2 — CID 42267156

IUPAC4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C23H30FN3O2/c1-2-3-18-29-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-5-4-6-21(22)24/h4-11H,2-3,12-18H2,1H3,(H,25,28)
InChIKeyYTMLDUMNBDRQGM-UHFFFAOYSA-N
MW399.51 g/mol
LogP3.56
Rot. Bonds9

About 4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide

4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 42267156) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is 4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide
PubChem CID42267156
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC Name4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C23H30FN3O2/c1-2-3-18-29-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-5-4-6-21(22)24/h4-11H,2-3,12-18H2,1H3,(H,25,28)
InChIKeyYTMLDUMNBDRQGM-UHFFFAOYSA-N
XLogP3.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]phenyl]acetamide
CID 91937741
4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56516937
4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16825823
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
CID 42269225
4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 51354851
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4,5-trimethoxybenzamide
CID 42224164
1-(2-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 45006688
N-(2-morpholin-4-ylethyl)-4-propoxybenzamide chloride
CID 53352023
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide
CID 109262108
2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224182
2-(4-fluorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42267208
4-ethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237098

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide (CID 42267156) is 4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide is CCCCOc1ccc(C(=O)NCCN2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is YTMLDUMNBDRQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2/c1-2-3-18-29-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-5-4-6-21(22)24/h4-11H,2-3,12-18H2,1H3,(H,25,28).
What are the key properties of 4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide?
4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 399.51 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 42267156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).