N-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide

C24H31N3O2 — CID 120740899

IUPACN-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCCc1ccc(C2CNCCN2C(=O)CCN(Cc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C24H31N3O2/c1-3-20-9-11-22(12-10-20)23-17-25-14-16-27(23)24(29)13-15-26(19(2)28)18-21-7-5-4-6-8-21/h4-12,23,25H,3,13-18H2,1-2H3
InChIKeyJRYYTJNSBWZYEK-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.16
Rot. Bonds7

About N-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide

N-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide (PubChem CID 120740899) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
PubChem CID120740899
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCCc1ccc(C2CNCCN2C(=O)CCN(Cc2ccccc2)C(C)=O)cc1
InChIInChI=1S/C24H31N3O2/c1-3-20-9-11-22(12-10-20)23-17-25-14-16-27(23)24(29)13-15-26(19(2)28)18-21-7-5-4-6-8-21/h4-12,23,25H,3,13-18H2,1-2H3
InChIKeyJRYYTJNSBWZYEK-UHFFFAOYSA-N
XLogP3.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 120740529
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
CID 120741482
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide
CID 120740657
2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 120741479
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
1-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 120740298
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120740374
N-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride
CID 120571953
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
CID 120741375
4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide
CID 120740417

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide (CID 120740899) is N-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide is CCc1ccc(C2CNCCN2C(=O)CCN(Cc2ccccc2)C(C)=O)cc1.
What is the InChIKey of N-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is JRYYTJNSBWZYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-3-20-9-11-22(12-10-20)23-17-25-14-16-27(23)24(29)13-15-26(19(2)28)18-21-7-5-4-6-8-21/h4-12,23,25H,3,13-18H2,1-2H3.
What are the key properties of N-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide?
N-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 120740899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).