N-(4-methylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)acetamide

C16H26N3O4+ — CID 9075264

IUPACN-(4-methylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NN2CC[NH+](C)CC2)c(OC)c1OC
InChIInChI=1S/C16H25N3O4/c1-18-7-9-19(10-8-18)17-14(20)11-12-5-6-13(21-2)16(23-4)15(12)22-3/h5-6H,7-11H2,1-4H3,(H,17,20)/p+1
InChIKeyFHTWJPBVSQRVIX-UHFFFAOYSA-O
MW324.40 g/mol
LogP-0.88
Rot. Bonds6

About N-(4-methylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)acetamide

N-(4-methylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)acetamide (PubChem CID 9075264) has the molecular formula C16H26N3O4+ and a molecular weight of 324.40 g/mol. Its IUPAC name is N-(4-methylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)acetamide
PubChem CID9075264
Molecular FormulaC16H26N3O4+
Molecular Weight324.40 g/mol
Exact Mass324.19
IUPAC NameN-(4-methylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NN2CC[NH+](C)CC2)c(OC)c1OC
InChIInChI=1S/C16H25N3O4/c1-18-7-9-19(10-8-18)17-14(20)11-12-5-6-13(21-2)16(23-4)15(12)22-3/h5-6H,7-11H2,1-4H3,(H,17,20)/p+1
InChIKeyFHTWJPBVSQRVIX-UHFFFAOYSA-O
XLogP-0.88
TPSA64.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide
CID 7027118
2-(2,4-dichlorophenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide
CID 9204698
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 24545817
(E)-3-(2,3-dimethoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide
CID 9204831
N,N-dimethyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43214462
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8533572
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
N-propan-2-yl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43400025
N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18089547
2,3,4-trimethoxy-N-(4-methylpiperazin-1-yl)benzamide
CID 9204696
1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea
CID 7470131
2-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
CID 84556181

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)acetamide?
The IUPAC name of N-(4-methylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)acetamide (CID 9075264) is N-(4-methylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(4-methylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(4-methylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)acetamide is COc1ccc(CC(=O)NN2CC[NH+](C)CC2)c(OC)c1OC.
What is the InChIKey of N-(4-methylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)acetamide?
The InChIKey is FHTWJPBVSQRVIX-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H25N3O4/c1-18-7-9-19(10-8-18)17-14(20)11-12-5-6-13(21-2)16(23-4)15(12)22-3/h5-6H,7-11H2,1-4H3,(H,17,20)/p+1.
What are the key properties of N-(4-methylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)acetamide?
N-(4-methylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)acetamide has a molecular weight of 324.40 g/mol, XLogP of -0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)acetamide is sourced from PubChem (CID 9075264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).