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N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride

C17H27ClN4O2 — CID 120703347

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CNC)CC1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-3-14-6-4-5-7-15(14)19-16(22)13-20-8-10-21(11-9-20)17(23)12-18-2;/h4-7,18H,3,8-13H2,1-2H3,(H,19,22);1H
InChIKeyPVBJZMQEVVSQLB-UHFFFAOYSA-N
MW354.88 g/mol
LogP0.97
Rot. Bonds6

About N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride

N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120703347) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
PubChem CID120703347
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC NameN-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CNC)CC1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-3-14-6-4-5-7-15(14)19-16(22)13-20-8-10-21(11-9-20)17(23)12-18-2;/h4-7,18H,3,8-13H2,1-2H3,(H,19,22);1H
InChIKeyPVBJZMQEVVSQLB-UHFFFAOYSA-N
XLogP0.97
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride (CID 120703347) is N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride is CCc1ccccc1NC(=O)CN1CCN(C(=O)CNC)CC1.Cl.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is PVBJZMQEVVSQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-3-14-6-4-5-7-15(14)19-16(22)13-20-8-10-21(11-9-20)17(23)12-18-2;/h4-7,18H,3,8-13H2,1-2H3,(H,19,22);1H.
What are the key properties of N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride?
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120703347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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