N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide

C21H28N4O — CID 120755259

IUPACN-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESCCc1ccc(CN(C)C(=O)CN2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C21H28N4O/c1-3-17-6-8-18(9-7-17)15-24(2)21(26)16-25-12-11-23-14-20(25)19-5-4-10-22-13-19/h4-10,13,20,23H,3,11-12,14-16H2,1-2H3
InChIKeyKCHXGIGCWFUNDY-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.25
Rot. Bonds6

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

N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (PubChem CID 120755259) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
PubChem CID120755259
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
SMILESCCc1ccc(CN(C)C(=O)CN2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C21H28N4O/c1-3-17-6-8-18(9-7-17)15-24(2)21(26)16-25-12-11-23-14-20(25)19-5-4-10-22-13-19/h4-10,13,20,23H,3,11-12,14-16H2,1-2H3
InChIKeyKCHXGIGCWFUNDY-UHFFFAOYSA-N
XLogP2.25
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120869682
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755989
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755033
1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine
CID 120755914
N-[(4-ethylphenyl)methyl]-N-methyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870455
N-methyl-N-(4-methylcyclohexyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754378
N-[1-(4-ethylphenyl)ethyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120756007
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755770
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 120758254
methyl 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzoate;hydrochloride
CID 120767725
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754631
N-[(4-methylphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754234

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide (CID 120755259) is N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is CCc1ccc(CN(C)C(=O)CN2CCNCC2c2cccnc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
The InChIKey is KCHXGIGCWFUNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-3-17-6-8-18(9-7-17)15-24(2)21(26)16-25-12-11-23-14-20(25)19-5-4-10-22-13-19/h4-10,13,20,23H,3,11-12,14-16H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide?
N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N-methyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 120755259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).