N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide

C24H33N3O2 — CID 39302579

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H33N3O2/c1-2-29-23-11-7-6-10-22(23)12-13-24(28)25-14-15-26-16-18-27(19-17-26)20-21-8-4-3-5-9-21/h3-11H,2,12-20H2,1H3,(H,25,28)
InChIKeyJMIDKAQNNPKJGV-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.95
Rot. Bonds10

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide (PubChem CID 39302579) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
PubChem CID39302579
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)NCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H33N3O2/c1-2-29-23-11-7-6-10-22(23)12-13-24(28)25-14-15-26-16-18-27(19-17-26)20-21-8-4-3-5-9-21/h3-11H,2,12-20H2,1H3,(H,25,28)
InChIKeyJMIDKAQNNPKJGV-UHFFFAOYSA-N
XLogP2.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 39963411
3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55960312
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 39963323
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 39301978
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
3-(2-ethoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 78809618
3-(2-ethoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 78805149
3-(2-ethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 78805128
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide
CID 109016894

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide (CID 39302579) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide is CCOc1ccccc1CCC(=O)NCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide?
The InChIKey is JMIDKAQNNPKJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-2-29-23-11-7-6-10-22(23)12-13-24(28)25-14-15-26-16-18-27(19-17-26)20-21-8-4-3-5-9-21/h3-11H,2,12-20H2,1H3,(H,25,28).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide has a molecular weight of 395.55 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 39302579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).