1-N-(4-bromo-3-methylphenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide

C23H28BrN3O3 — CID 53070873

IUPAC1-N-(4-bromo-3-methylphenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
SMILESCOc1cccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccc(Br)c(C)c3)CC2)c1
InChIInChI=1S/C23H28BrN3O3/c1-16-13-18(7-8-20(16)24)26-22(29)27-11-9-23(2,10-12-27)21(28)25-15-17-5-4-6-19(14-17)30-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyYEONMPVNICIADP-UHFFFAOYSA-N
MW474.40 g/mol
LogP4.72
Rot. Bonds5

About 1-N-(4-bromo-3-methylphenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide

1-N-(4-bromo-3-methylphenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide (PubChem CID 53070873) has the molecular formula C23H28BrN3O3 and a molecular weight of 474.40 g/mol. Its IUPAC name is 1-N-(4-bromo-3-methylphenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-bromo-3-methylphenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
PubChem CID53070873
Molecular FormulaC23H28BrN3O3
Molecular Weight474.40 g/mol
Exact Mass473.13
IUPAC Name1-N-(4-bromo-3-methylphenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
SMILESCOc1cccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccc(Br)c(C)c3)CC2)c1
InChIInChI=1S/C23H28BrN3O3/c1-16-13-18(7-8-20(16)24)26-22(29)27-11-9-23(2,10-12-27)21(28)25-15-17-5-4-6-19(14-17)30-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyYEONMPVNICIADP-UHFFFAOYSA-N
XLogP4.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.40
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 52998923
(3R)-3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 95087786
4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998894
1-N-(4-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 53070839
3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(2-methylphenyl)piperidine-1,3-dicarboxamide
CID 53117270
4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998873
3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 53117302
4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 53070862
1-(5-bromofuran-2-carbonyl)-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117062
4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998868
1-N-(2-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 20933115
3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(oxolan-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 53011193

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-bromo-3-methylphenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-bromo-3-methylphenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide (CID 53070873) is 1-N-(4-bromo-3-methylphenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-bromo-3-methylphenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-bromo-3-methylphenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide is COc1cccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccc(Br)c(C)c3)CC2)c1.
What is the InChIKey of 1-N-(4-bromo-3-methylphenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide?
The InChIKey is YEONMPVNICIADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrN3O3/c1-16-13-18(7-8-20(16)24)26-22(29)27-11-9-23(2,10-12-27)21(28)25-15-17-5-4-6-19(14-17)30-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 1-N-(4-bromo-3-methylphenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide?
1-N-(4-bromo-3-methylphenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide has a molecular weight of 474.40 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-bromo-3-methylphenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 53070873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).