4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide

C22H27N3O3 — CID 52998868

IUPAC4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(C)(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C22H27N3O3/c1-22(20(26)23-16-17-8-4-3-5-9-17)12-14-25(15-13-22)21(27)24-18-10-6-7-11-19(18)28-2/h3-11H,12-16H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyAPLQJBCLYKMGIF-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.65
Rot. Bonds5

About 4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide

4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide (PubChem CID 52998868) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide
PubChem CID52998868
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(C)(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C22H27N3O3/c1-22(20(26)23-16-17-8-4-3-5-9-17)12-14-25(15-13-22)21(27)24-18-10-6-7-11-19(18)28-2/h3-11H,12-16H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyAPLQJBCLYKMGIF-UHFFFAOYSA-N
XLogP3.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998895
1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123407
1-N-(2-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 20933115
3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 53117301
(3R)-1-N-(2-methoxyphenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087951
4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998873
1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 52999016
4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998894
(3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 93071343
4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide
CID 53070861
1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 52998923
4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide
CID 53070862

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide (CID 52998868) is 4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide is COc1ccccc1NC(=O)N1CCC(C)(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide?
The InChIKey is APLQJBCLYKMGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-22(20(26)23-16-17-8-4-3-5-9-17)12-14-25(15-13-22)21(27)24-18-10-6-7-11-19(18)28-2/h3-11H,12-16H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide?
4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 52998868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).