N-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride

C21H29ClN4O — CID 120756007

IUPACN-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCCc1ccc(C(C)NC(=O)CN2CCNCC2c2cccnc2)cc1.Cl
InChIInChI=1S/C21H28N4O.ClH/c1-3-17-6-8-18(9-7-17)16(2)24-21(26)15-25-12-11-23-14-20(25)19-5-4-10-22-13-19;/h4-10,13,16,20,23H,3,11-12,14-15H2,1-2H3,(H,24,26);1H
InChIKeyFAJOVWMJTUTFQT-UHFFFAOYSA-N
MW388.94 g/mol
LogP2.89
Rot. Bonds6

About N-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride

N-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 120756007) has the molecular formula C21H29ClN4O and a molecular weight of 388.94 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID120756007
Molecular FormulaC21H29ClN4O
Molecular Weight388.94 g/mol
Exact Mass388.20
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCCc1ccc(C(C)NC(=O)CN2CCNCC2c2cccnc2)cc1.Cl
InChIInChI=1S/C21H28N4O.ClH/c1-3-17-6-8-18(9-7-17)16(2)24-21(26)15-25-12-11-23-14-20(25)19-5-4-10-22-13-19;/h4-10,13,16,20,23H,3,11-12,14-15H2,1-2H3,(H,24,26);1H
InChIKeyFAJOVWMJTUTFQT-UHFFFAOYSA-N
XLogP2.89
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755925
N-(4-propan-2-ylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754746
N-[1-(4-chlorophenyl)propyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754885
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 120758254
N-[(4-methylphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754234
3-(4-ethylphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731922
N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755259
N-(2,6-dimethylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755901
N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine
CID 120755914
N-[cyclohexyl(phenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755482
methyl 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzoate;hydrochloride
CID 120767725

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride (CID 120756007) is N-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is CCc1ccc(C(C)NC(=O)CN2CCNCC2c2cccnc2)cc1.Cl.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is FAJOVWMJTUTFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O.ClH/c1-3-17-6-8-18(9-7-17)16(2)24-21(26)15-25-12-11-23-14-20(25)19-5-4-10-22-13-19;/h4-10,13,16,20,23H,3,11-12,14-15H2,1-2H3,(H,24,26);1H.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride?
N-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 388.94 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 120756007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).