3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide

C24H33N3O — CID 55695053

IUPAC3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
SMILESCCc1ccc(CCC(=O)NCC(C)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H33N3O/c1-3-21-9-11-22(12-10-21)13-14-24(28)25-19-20(2)26-15-17-27(18-16-26)23-7-5-4-6-8-23/h4-12,20H,3,13-19H2,1-2H3,(H,25,28)
InChIKeyAVDPFQKEAVWAQJ-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.51
Rot. Bonds8

About 3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide

3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide (PubChem CID 55695053) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
PubChem CID55695053
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
SMILESCCc1ccc(CCC(=O)NCC(C)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H33N3O/c1-3-21-9-11-22(12-10-21)13-14-24(28)25-19-20(2)26-15-17-27(18-16-26)23-7-5-4-6-8-23/h4-12,20H,3,13-19H2,1-2H3,(H,25,28)
InChIKeyAVDPFQKEAVWAQJ-UHFFFAOYSA-N
XLogP3.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 51658596
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 60511690
4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 55694698
N-[2-(4-phenylpiperazin-1-yl)propyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167795317
2-[cyclopropyl(methyl)amino]-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 60504013
3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 110620424
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090
3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide
CID 110620539
4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120597574

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide (CID 55695053) is 3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide is CCc1ccc(CCC(=O)NCC(C)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide?
The InChIKey is AVDPFQKEAVWAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-3-21-9-11-22(12-10-21)13-14-24(28)25-19-20(2)26-15-17-27(18-16-26)23-7-5-4-6-8-23/h4-12,20H,3,13-19H2,1-2H3,(H,25,28).
What are the key properties of 3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide?
3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide has a molecular weight of 379.55 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 55695053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).