2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

C16H27N3O+2 — CID 3656753

IUPAC2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)C[NH+]2CC[NH+](C)CC2)c(C)c1
InChIInChI=1S/C16H25N3O/c1-12-9-13(2)16(14(3)10-12)17-15(20)11-19-7-5-18(4)6-8-19/h9-10H,5-8,11H2,1-4H3,(H,17,20)/p+2
InChIKeyPXVVMMJYWALWCS-UHFFFAOYSA-P
MW277.41 g/mol
LogP-1.04
Rot. Bonds3

About 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 3656753) has the molecular formula C16H27N3O+2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID3656753
Molecular FormulaC16H27N3O+2
Molecular Weight277.41 g/mol
Exact Mass277.21
IUPAC Name2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)C[NH+]2CC[NH+](C)CC2)c(C)c1
InChIInChI=1S/C16H25N3O/c1-12-9-13(2)16(14(3)10-12)17-15(20)11-19-7-5-18(4)6-8-19/h9-10H,5-8,11H2,1-4H3,(H,17,20)/p+2
InChIKeyPXVVMMJYWALWCS-UHFFFAOYSA-P
XLogP-1.04
TPSA37.98 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8726255
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-methylphenyl)acetamide
CID 9435717
N-(2,6-dimethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8744806
2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2685021
N-(2,6-dimethylphenyl)-2-[4-[(2,5-dimethylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8744627
(2S)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8774283
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-cyanophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9398853
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
N-(2,5-difluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 8896710
4-morpholin-4-ium-4-yl-N-(2,4,6-trimethylphenyl)butanamide
CID 6942433

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 3656753) is 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)C[NH+]2CC[NH+](C)CC2)c(C)c1.
What is the InChIKey of 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is PXVVMMJYWALWCS-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H25N3O/c1-12-9-13(2)16(14(3)10-12)17-15(20)11-19-7-5-18(4)6-8-19/h9-10H,5-8,11H2,1-4H3,(H,17,20)/p+2.
What are the key properties of 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 277.41 g/mol, XLogP of -1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 3656753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).