4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide

C26H37N3O4 — CID 24951842

IUPAC4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)N2CCC(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c(OC)c1
InChIInChI=1S/C26H37N3O4/c1-32-22-4-3-19(23(14-22)33-2)15-27-26(31)29-7-5-18(6-8-29)25(30)28-24-20-10-16-9-17(12-20)13-21(24)11-16/h3-4,14,16-18,20-21,24H,5-13,15H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyWLIYGROUDAFDBF-UHFFFAOYSA-N
MW455.60 g/mol
LogP3.57
Rot. Bonds6

About 4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide

4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 24951842) has the molecular formula C26H37N3O4 and a molecular weight of 455.60 g/mol. Its IUPAC name is 4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide
PubChem CID24951842
Molecular FormulaC26H37N3O4
Molecular Weight455.60 g/mol
Exact Mass455.28
IUPAC Name4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)N2CCC(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c(OC)c1
InChIInChI=1S/C26H37N3O4/c1-32-22-4-3-19(23(14-22)33-2)15-27-26(31)29-7-5-18(6-8-29)25(30)28-24-20-10-16-9-17(12-20)13-21(24)11-16/h3-4,14,16-18,20-21,24H,5-13,15H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyWLIYGROUDAFDBF-UHFFFAOYSA-N
XLogP3.57
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 95663808
N-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 78884210
(1S,5R)-N-[(2,4-dimethoxyphenyl)methyl]-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 119071131
1-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122341
N-[(2,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55577918
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771237
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1343432
N-[(2,4-dimethoxyphenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-4-carboxamide
CID 3708169
1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006056
4-[2-[(2,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperidine-1-carboxamide
CID 52998803
N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide
CID 118754590

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide (CID 24951842) is 4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide is COc1ccc(CNC(=O)N2CCC(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)c(OC)c1.
What is the InChIKey of 4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is WLIYGROUDAFDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4/c1-32-22-4-3-19(23(14-22)33-2)15-27-26(31)29-7-5-18(6-8-29)25(30)28-24-20-10-16-9-17(12-20)13-21(24)11-16/h3-4,14,16-18,20-21,24H,5-13,15H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide?
4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 455.60 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 24951842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).