2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide

C17H27N3O2 — CID 47010786

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1CCNC(=O)CN1CCN(CCO)CC1
InChIInChI=1S/C17H27N3O2/c1-15-4-2-3-5-16(15)6-7-18-17(22)14-20-10-8-19(9-11-20)12-13-21/h2-5,21H,6-14H2,1H3,(H,18,22)
InChIKeyVCUTVLVMUJESQK-UHFFFAOYSA-N
MW305.42 g/mol
LogP0.26
Rot. Bonds7

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide (PubChem CID 47010786) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
PubChem CID47010786
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1CCNC(=O)CN1CCN(CCO)CC1
InChIInChI=1S/C17H27N3O2/c1-15-4-2-3-5-16(15)6-7-18-17(22)14-20-10-8-19(9-11-20)12-13-21/h2-5,21H,6-14H2,1H3,(H,18,22)
InChIKeyVCUTVLVMUJESQK-UHFFFAOYSA-N
XLogP0.26
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide
CID 110884150
N-[2-(2-methylphenyl)ethyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 8834788
2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9257577
N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95333668
1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904533
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 38386256
N-[2-(2-methylphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51177305
(3S,4S)-4-methyl-1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 128987164
2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 60503424
2-[(S)-2-hydroxyethylsulfinyl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 97238910
2-[[(3S)-3-methyl-1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid
CID 129325168
N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801947

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide (CID 47010786) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide is Cc1ccccc1CCNC(=O)CN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide?
The InChIKey is VCUTVLVMUJESQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-15-4-2-3-5-16(15)6-7-18-17(22)14-20-10-8-19(9-11-20)12-13-21/h2-5,21H,6-14H2,1H3,(H,18,22).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 47010786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).