methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate

C23H30N3O5+ — CID 7328875

IUPACmethyl 3-[(3,5-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate
SMILESCC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C23H29N3O5/c1-5-25-8-10-26(11-9-25)21-7-6-16(23(28)31-4)14-20(21)24-22(27)17-12-18(29-2)15-19(13-17)30-3/h6-7,12-15H,5,8-11H2,1-4H3,(H,24,27)/p+1
InChIKeyPSRIJNPFPWJPBP-UHFFFAOYSA-O
MW428.51 g/mol
LogP1.47
Rot. Bonds7

About methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate

methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate (PubChem CID 7328875) has the molecular formula C23H30N3O5+ and a molecular weight of 428.51 g/mol. Its IUPAC name is methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate
PubChem CID7328875
Molecular FormulaC23H30N3O5+
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC Namemethyl 3-[(3,5-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate
SMILESCC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C23H29N3O5/c1-5-25-8-10-26(11-9-25)21-7-6-16(23(28)31-4)14-20(21)24-22(27)17-12-18(29-2)15-19(13-17)30-3/h6-7,12-15H,5,8-11H2,1-4H3,(H,24,27)/p+1
InChIKeyPSRIJNPFPWJPBP-UHFFFAOYSA-O
XLogP1.47
TPSA81.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 7491968
methyl 3-[(3,4-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate
CID 7346082
methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(4-fluorobenzoyl)amino]benzoate
CID 7328895
methyl 3-[(3,4-dimethylbenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate
CID 7328907
methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(3-methylbenzoyl)amino]benzoate
CID 7341186
methyl 3-[(4-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6456963
ethyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-(thiophene-2-carbonylamino)benzoate
CID 7328950
N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,5-dimethylbenzamide
CID 7535503
methyl 3-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(4-methylpiperazin-4-ium-1-yl)benzoate
CID 7092448
methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
CID 967197
methyl 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-4-(4-methylpiperazin-4-ium-1-yl)benzoate
CID 7419952
methyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 51337606

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate?
The IUPAC name of methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate (CID 7328875) is methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate.
What is the SMILES notation for methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate?
The canonical SMILES for methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate is CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cc(OC)cc(OC)c2)CC1.
What is the InChIKey of methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate?
The InChIKey is PSRIJNPFPWJPBP-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H29N3O5/c1-5-25-8-10-26(11-9-25)21-7-6-16(23(28)31-4)14-20(21)24-22(27)17-12-18(29-2)15-19(13-17)30-3/h6-7,12-15H,5,8-11H2,1-4H3,(H,24,27)/p+1.
What are the key properties of methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate?
methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate has a molecular weight of 428.51 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate is sourced from PubChem (CID 7328875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).