N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide

C24H29N3O4 — CID 9169702

IUPACN-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H29N3O4/c1-3-22(28)19-6-10-21(11-7-19)31-17-24(30)27-14-12-26(13-15-27)16-23(29)25-20-8-4-18(2)5-9-20/h4-11H,3,12-17H2,1-2H3,(H,25,29)
InChIKeyPOPNGLHPEKTRJY-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.75
Rot. Bonds8

About N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide

N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide (PubChem CID 9169702) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide
PubChem CID9169702
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H29N3O4/c1-3-22(28)19-6-10-21(11-7-19)31-17-24(30)27-14-12-26(13-15-27)16-23(29)25-20-8-4-18(2)5-9-20/h4-11H,3,12-17H2,1-2H3,(H,25,29)
InChIKeyPOPNGLHPEKTRJY-UHFFFAOYSA-N
XLogP2.75
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide (CID 9169702) is N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide is CCC(=O)c1ccc(OCC(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide?
The InChIKey is POPNGLHPEKTRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-3-22(28)19-6-10-21(11-7-19)31-17-24(30)27-14-12-26(13-15-27)16-23(29)25-20-8-4-18(2)5-9-20/h4-11H,3,12-17H2,1-2H3,(H,25,29).
What are the key properties of N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide?
N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide has a molecular weight of 423.51 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9169702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).