2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide

C21H27N5O3 — CID 55932425

IUPAC2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCCN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C21H27N5O3/c1-2-19(27)17-4-6-18(7-5-17)29-16-20(28)22-10-11-25-12-14-26(15-13-25)21-23-8-3-9-24-21/h3-9H,2,10-16H2,1H3,(H,22,28)
InChIKeyWBVLAXQSTYHFJJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.39
Rot. Bonds9

About 2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide

2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide (PubChem CID 55932425) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
PubChem CID55932425
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
SMILESCCC(=O)c1ccc(OCC(=O)NCCN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C21H27N5O3/c1-2-19(27)17-4-6-18(7-5-17)29-16-20(28)22-10-11-25-12-14-26(15-13-25)21-23-8-3-9-24-21/h3-9H,2,10-16H2,1H3,(H,22,28)
InChIKeyWBVLAXQSTYHFJJ-UHFFFAOYSA-N
XLogP1.39
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39539907
2-(4-fluorophenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39540125
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-(4-propanoylphenoxy)acetamide
CID 46439997
1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 47049542
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030502
4-(4-ethylphenyl)-4-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide
CID 39539883
N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide
CID 7935611
N-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide
CID 8916560
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 109004850
2-(4-ethylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 39052897
methyl 4-[(2R)-2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]benzoate
CID 52532865
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 42266721

Frequently Asked Questions

What is the IUPAC name of 2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide (CID 55932425) is 2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide is CCC(=O)c1ccc(OCC(=O)NCCN2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is WBVLAXQSTYHFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-2-19(27)17-4-6-18(7-5-17)29-16-20(28)22-10-11-25-12-14-26(15-13-25)21-23-8-3-9-24-21/h3-9H,2,10-16H2,1H3,(H,22,28).
What are the key properties of 2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide?
2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propanoylphenoxy)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 55932425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).