2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide

C17H28N4O — CID 119505382

IUPAC2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide
SMILESCCNCCNC(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N4O/c1-2-18-8-9-19-17(22)15-21-12-10-20(11-13-21)14-16-6-4-3-5-7-16/h3-7,18H,2,8-15H2,1H3,(H,19,22)
InChIKeyBLURREQPSWLFCM-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.53
Rot. Bonds8

About 2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide

2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide (PubChem CID 119505382) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide
PubChem CID119505382
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide
SMILESCCNCCNC(=O)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N4O/c1-2-18-8-9-19-17(22)15-21-12-10-20(11-13-21)14-16-6-4-3-5-7-16/h3-7,18H,2,8-15H2,1H3,(H,19,22)
InChIKeyBLURREQPSWLFCM-UHFFFAOYSA-N
XLogP0.53
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119500637
N-[2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 30863662
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 110007949
2-(4-benzylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109000996
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 17383605
1-(4-benzylpiperazin-1-yl)butan-2-one
CID 22120198
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9257577
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 22195654
2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 46491153
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]propanamide
CID 110287317

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide (CID 119505382) is 2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide is CCNCCNC(=O)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide?
The InChIKey is BLURREQPSWLFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-2-18-8-9-19-17(22)15-21-12-10-20(11-13-21)14-16-6-4-3-5-7-16/h3-7,18H,2,8-15H2,1H3,(H,19,22).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide has a molecular weight of 304.44 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[2-(ethylamino)ethyl]acetamide is sourced from PubChem (CID 119505382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).