4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide

C22H28N4O3 — CID 154839476

IUPAC4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(C(=O)NCc3ccc(C)nc3)CC2)cc1
InChIInChI=1S/C22H28N4O3/c1-16-3-4-18(14-23-16)15-25-22(28)26-11-9-19(10-12-26)21(27)24-13-17-5-7-20(29-2)8-6-17/h3-8,14,19H,9-13,15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJLERPVXJHUCJFX-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.64
Rot. Bonds6

About 4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide

4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 154839476) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
PubChem CID154839476
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(C(=O)NCc3ccc(C)nc3)CC2)cc1
InChIInChI=1S/C22H28N4O3/c1-16-3-4-18(14-23-16)15-25-22(28)26-11-9-19(10-12-26)21(27)24-13-17-5-7-20(29-2)8-6-17/h3-8,14,19H,9-13,15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyJLERPVXJHUCJFX-UHFFFAOYSA-N
XLogP2.64
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131894163
N-[(4-methoxyphenyl)methyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145605
N-[(4-methoxyphenyl)methyl]-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004350
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309414
1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 62992812
1-(cyclopropanecarbonyl)-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 46692059
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
1-(5-cyanopyrazin-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 133485103
1-(2-cyclopentylcyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 154842260
1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131934712
N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 4876895

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide (CID 154839476) is 4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide is COc1ccc(CNC(=O)C2CCN(C(=O)NCc3ccc(C)nc3)CC2)cc1.
What is the InChIKey of 4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is JLERPVXJHUCJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-16-3-4-18(14-23-16)15-25-22(28)26-11-9-19(10-12-26)21(27)24-13-17-5-7-20(29-2)8-6-17/h3-8,14,19H,9-13,15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide?
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 154839476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).