3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide

C24H31N3O5 — CID 3200252

IUPAC3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2NC(=O)CN2CCC(C)CC2)cc(OC)c1OC
InChIInChI=1S/C24H31N3O5/c1-16-9-11-27(12-10-16)15-22(28)25-18-7-5-6-8-19(18)26-24(29)17-13-20(30-2)23(32-4)21(14-17)31-3/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyCBHHYNXWNXSTKL-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.64
Rot. Bonds8

About 3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide

3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide (PubChem CID 3200252) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide
PubChem CID3200252
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2NC(=O)CN2CCC(C)CC2)cc(OC)c1OC
InChIInChI=1S/C24H31N3O5/c1-16-9-11-27(12-10-16)15-22(28)25-18-7-5-6-8-19(18)26-24(29)17-13-20(30-2)23(32-4)21(14-17)31-3/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyCBHHYNXWNXSTKL-UHFFFAOYSA-N
XLogP3.64
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 3220749
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8558409
N-(5-amino-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 16784173
N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide
CID 11841254
N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922615
3,4,5-trimethoxy-N-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 4001036
N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide
CID 61223798
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
2-[2-iodo-6-methoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 126269116
3,4,5-trimethoxy-N-[1-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 25415149
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 8930541

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide (CID 3200252) is 3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide is COc1cc(C(=O)Nc2ccccc2NC(=O)CN2CCC(C)CC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide?
The InChIKey is CBHHYNXWNXSTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-16-9-11-27(12-10-16)15-22(28)25-18-7-5-6-8-19(18)26-24(29)17-13-20(30-2)23(32-4)21(14-17)31-3/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of 3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide?
3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 3200252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).