3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide

C23H29N3O6 — CID 46601420

IUPAC3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1cccc(N2CCN(C(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1
InChIInChI=1S/C23H29N3O6/c1-29-18-7-5-6-17(14-18)25-8-10-26(11-9-25)21(27)15-24-23(28)16-12-19(30-2)22(32-4)20(13-16)31-3/h5-7,12-14H,8-11,15H2,1-4H3,(H,24,28)
InChIKeyXDGZQWALKGVQNU-UHFFFAOYSA-N
MW443.50 g/mol
LogP1.80
Rot. Bonds8

About 3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide

3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 46601420) has the molecular formula C23H29N3O6 and a molecular weight of 443.50 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID46601420
Molecular FormulaC23H29N3O6
Molecular Weight443.50 g/mol
Exact Mass443.21
IUPAC Name3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1cccc(N2CCN(C(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1
InChIInChI=1S/C23H29N3O6/c1-29-18-7-5-6-17(14-18)25-8-10-26(11-9-25)21(27)15-24-23(28)16-12-19(30-2)22(32-4)20(13-16)31-3/h5-7,12-14H,8-11,15H2,1-4H3,(H,24,28)
InChIKeyXDGZQWALKGVQNU-UHFFFAOYSA-N
XLogP1.80
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 51161506
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,3-dimethyl-2-oxobutanamide
CID 113097898
3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 108763927
2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829459
3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9152898
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
2-(cyclopropylmethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829431
N-[2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55550122
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51161949
3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 17226023
3,4,5-trimethoxy-N'-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]benzohydrazide
CID 3971478

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide (CID 46601420) is 3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide is COc1cccc(N2CCN(C(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is XDGZQWALKGVQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6/c1-29-18-7-5-6-17(14-18)25-8-10-26(11-9-25)21(27)15-24-23(28)16-12-19(30-2)22(32-4)20(13-16)31-3/h5-7,12-14H,8-11,15H2,1-4H3,(H,24,28).
What are the key properties of 3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 443.50 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 46601420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).