N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide

C21H27N3O2 — CID 631854

IUPACN-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-2-26-20-10-8-18(9-11-20)22-21(25)12-13-23-14-16-24(17-15-23)19-6-4-3-5-7-19/h3-11H,2,12-17H2,1H3,(H,22,25)
InChIKeyPBPKXTAUPIMJLK-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.24
Rot. Bonds7

About N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide

N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 631854) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID631854
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-2-26-20-10-8-18(9-11-20)22-21(25)12-13-23-14-16-24(17-15-23)19-6-4-3-5-7-19/h3-11H,2,12-17H2,1H3,(H,22,25)
InChIKeyPBPKXTAUPIMJLK-UHFFFAOYSA-N
XLogP3.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide (CID 631854) is N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide is CCOc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is PBPKXTAUPIMJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-2-26-20-10-8-18(9-11-20)22-21(25)12-13-23-14-16-24(17-15-23)19-6-4-3-5-7-19/h3-11H,2,12-17H2,1H3,(H,22,25).
What are the key properties of N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 353.47 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 631854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).