2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

C22H30N4O — CID 166602045

IUPAC2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cncc(CN2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)c1
InChIInChI=1S/C22H30N4O/c1-16-9-18(3)22(19(4)10-16)24-21(27)15-26-7-5-25(6-8-26)14-20-11-17(2)12-23-13-20/h9-13H,5-8,14-15H2,1-4H3,(H,24,27)
InChIKeyLOKMVVRZBYZYBT-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.07
Rot. Bonds5

About 2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 166602045) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID166602045
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cncc(CN2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)c1
InChIInChI=1S/C22H30N4O/c1-16-9-18(3)22(19(4)10-16)24-21(27)15-26-7-5-25(6-8-26)14-20-11-17(2)12-23-13-20/h9-13H,5-8,14-15H2,1-4H3,(H,24,27)
InChIKeyLOKMVVRZBYZYBT-UHFFFAOYSA-N
XLogP3.07
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166602168
N-(3-chloro-4-fluorophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166602128
2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 171337882
2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 171667377
2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3090863
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9126664
ethyl 4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperazine-1-carboxylate;hydrochloride
CID 3066137
4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113107050
2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 139001577
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 119922259
2-[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3280448
N-(2,4-dimethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266501

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 166602045) is 2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cncc(CN2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)c1.
What is the InChIKey of 2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is LOKMVVRZBYZYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16-9-18(3)22(19(4)10-16)24-21(27)15-26-7-5-25(6-8-26)14-20-11-17(2)12-23-13-20/h9-13H,5-8,14-15H2,1-4H3,(H,24,27).
What are the key properties of 2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 366.51 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 166602045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).