2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-phenylpropyl)acetamide

C24H33N3O3 — CID 38382602

IUPAC2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-phenylpropyl)acetamide
SMILESCOc1ccc(OC)c(CN2CCN(CC(=O)NCCCc3ccccc3)CC2)c1
InChIInChI=1S/C24H33N3O3/c1-29-22-10-11-23(30-2)21(17-22)18-26-13-15-27(16-14-26)19-24(28)25-12-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,6,9,12-16,18-19H2,1-2H3,(H,25,28)
InChIKeyJWXYRXLWJQWWIK-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.57
Rot. Bonds10

About 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-phenylpropyl)acetamide

2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-phenylpropyl)acetamide (PubChem CID 38382602) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-phenylpropyl)acetamide
PubChem CID38382602
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-phenylpropyl)acetamide
SMILESCOc1ccc(OC)c(CN2CCN(CC(=O)NCCCc3ccccc3)CC2)c1
InChIInChI=1S/C24H33N3O3/c1-29-22-10-11-23(30-2)21(17-22)18-26-13-15-27(16-14-26)19-24(28)25-12-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,6,9,12-16,18-19H2,1-2H3,(H,25,28)
InChIKeyJWXYRXLWJQWWIK-UHFFFAOYSA-N
XLogP2.57
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 38386256
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 30735955
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30986347
2-(4-benzylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109000996
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 8997331
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30959496
N-(3,5-dimethoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 31129802
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 8997761
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 31129825
(2,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium
CID 9101509
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8997912

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-phenylpropyl)acetamide (CID 38382602) is 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-phenylpropyl)acetamide is COc1ccc(OC)c(CN2CCN(CC(=O)NCCCc3ccccc3)CC2)c1.
What is the InChIKey of 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-phenylpropyl)acetamide?
The InChIKey is JWXYRXLWJQWWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-29-22-10-11-23(30-2)21(17-22)18-26-13-15-27(16-14-26)19-24(28)25-12-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,6,9,12-16,18-19H2,1-2H3,(H,25,28).
What are the key properties of 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-phenylpropyl)acetamide?
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-phenylpropyl)acetamide has a molecular weight of 411.55 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 38382602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).