2,3,4-trimethoxy-N-(4-methylpiperazin-1-yl)benzamide

C15H23N3O4 — CID 9204696

IUPAC2,3,4-trimethoxy-N-(4-methylpiperazin-1-yl)benzamide
SMILESCOc1ccc(C(=O)NN2CCN(C)CC2)c(OC)c1OC
InChIInChI=1S/C15H23N3O4/c1-17-7-9-18(10-8-17)16-15(19)11-5-6-12(20-2)14(22-4)13(11)21-3/h5-6H,7-10H2,1-4H3,(H,16,19)
InChIKeyLNFIZBQBPZDXFA-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.60
Rot. Bonds5

About 2,3,4-trimethoxy-N-(4-methylpiperazin-1-yl)benzamide

2,3,4-trimethoxy-N-(4-methylpiperazin-1-yl)benzamide (PubChem CID 9204696) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-(4-methylpiperazin-1-yl)benzamide
PubChem CID9204696
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name2,3,4-trimethoxy-N-(4-methylpiperazin-1-yl)benzamide
SMILESCOc1ccc(C(=O)NN2CCN(C)CC2)c(OC)c1OC
InChIInChI=1S/C15H23N3O4/c1-17-7-9-18(10-8-17)16-15(19)11-5-6-12(20-2)14(22-4)13(11)21-3/h5-6H,7-10H2,1-4H3,(H,16,19)
InChIKeyLNFIZBQBPZDXFA-UHFFFAOYSA-N
XLogP0.60
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(4-methylpiperazin-1-yl)benzamide
CID 4605350
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
2-bromo-4-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 83016178
2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide
CID 9204739
2-(dimethylamino)-N-(4-methylpiperazin-1-yl)benzamide
CID 110463540
ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate
CID 60816133
5-chloro-4-[(2-chloroacetyl)amino]-2-methoxy-N-(4-methylpiperazin-1-yl)benzamide
CID 70574836
5-[(2-methoxyphenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
CID 3542536
4-[(4-methylpiperazin-1-yl)carbamoyl]benzoic acid
CID 83023034
2,3,4-trimethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]benzamide
CID 153408978
1-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)urea
CID 971253
N-(4-methylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9075264

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-(4-methylpiperazin-1-yl)benzamide (CID 9204696) is 2,3,4-trimethoxy-N-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-(4-methylpiperazin-1-yl)benzamide is COc1ccc(C(=O)NN2CCN(C)CC2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is LNFIZBQBPZDXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-17-7-9-18(10-8-17)16-15(19)11-5-6-12(20-2)14(22-4)13(11)21-3/h5-6H,7-10H2,1-4H3,(H,16,19).
What are the key properties of 2,3,4-trimethoxy-N-(4-methylpiperazin-1-yl)benzamide?
2,3,4-trimethoxy-N-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 309.37 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 9204696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).