2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride

C20H28Cl2N4O — CID 120758254

IUPAC2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
SMILESCCc1ccc(C2CNCCN2CC(=O)NCc2cccnc2)cc1.Cl.Cl
InChIInChI=1S/C20H26N4O.2ClH/c1-2-16-5-7-18(8-6-16)19-14-22-10-11-24(19)15-20(25)23-13-17-4-3-9-21-12-17;;/h3-9,12,19,22H,2,10-11,13-15H2,1H3,(H,23,25);2*1H
InChIKeySSMDAMSSHOATGW-UHFFFAOYSA-N
MW411.38 g/mol
LogP2.75
Rot. Bonds6

About 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride

2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride (PubChem CID 120758254) has the molecular formula C20H28Cl2N4O and a molecular weight of 411.38 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
PubChem CID120758254
Molecular FormulaC20H28Cl2N4O
Molecular Weight411.38 g/mol
Exact Mass410.16
IUPAC Name2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
SMILESCCc1ccc(C2CNCCN2CC(=O)NCc2cccnc2)cc1.Cl.Cl
InChIInChI=1S/C20H26N4O.2ClH/c1-2-16-5-7-18(8-6-16)19-14-22-10-11-24(19)15-20(25)23-13-17-4-3-9-21-12-17;;/h3-9,12,19,22H,2,10-11,13-15H2,1H3,(H,23,25);2*1H
InChIKeySSMDAMSSHOATGW-UHFFFAOYSA-N
XLogP2.75
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
N-[(4-methylphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754234
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 120758267
3-[2-(4-ethylphenyl)piperazin-1-yl]-N-pyridin-3-ylpropanamide;hydrochloride
CID 120758052
N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755961
N-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120756007
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 120758156
2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 120755838
N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755361
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755646
N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120758000
N-[(1-phenylpyrazol-4-yl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754244

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride?
The IUPAC name of 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride (CID 120758254) is 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride is CCc1ccc(C2CNCCN2CC(=O)NCc2cccnc2)cc1.Cl.Cl.
What is the InChIKey of 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride?
The InChIKey is SSMDAMSSHOATGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O.2ClH/c1-2-16-5-7-18(8-6-16)19-14-22-10-11-24(19)15-20(25)23-13-17-4-3-9-21-12-17;;/h3-9,12,19,22H,2,10-11,13-15H2,1H3,(H,23,25);2*1H.
What are the key properties of 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride?
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride has a molecular weight of 411.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride is sourced from PubChem (CID 120758254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).