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

C25H35N3O4S — CID 24951840

IUPAC4-N-(2-adamantyl)-1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)N2CCC(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)cc1
InChIInChI=1S/C25H35N3O4S/c1-33(31,32)22-4-2-16(3-5-22)15-26-25(30)28-8-6-19(7-9-28)24(29)27-23-20-11-17-10-18(13-20)14-21(23)12-17/h2-5,17-21,23H,6-15H2,1H3,(H,26,30)(H,27,29)
InChIKeyYAMMHFGKVKYSNW-UHFFFAOYSA-N
MW473.64 g/mol
LogP2.95
Rot. Bonds5

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

4-N-(2-adamantyl)-1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 24951840) has the molecular formula C25H35N3O4S and a molecular weight of 473.64 g/mol. Its IUPAC name is 4-N-(2-adamantyl)-1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-adamantyl)-1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide
PubChem CID24951840
Molecular FormulaC25H35N3O4S
Molecular Weight473.64 g/mol
Exact Mass473.23
IUPAC Name4-N-(2-adamantyl)-1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)N2CCC(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)cc1
InChIInChI=1S/C25H35N3O4S/c1-33(31,32)22-4-2-16(3-5-22)15-26-25(30)28-8-6-19(7-9-28)24(29)27-23-20-11-17-10-18(13-20)14-21(23)12-17/h2-5,17-21,23H,6-15H2,1H3,(H,26,30)(H,27,29)
InChIKeyYAMMHFGKVKYSNW-UHFFFAOYSA-N
XLogP2.95
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide
CID 115584071
4-N-(2-adamantyl)-1-N-[(2,4-dimethoxyphenyl)methyl]piperidine-1,4-dicarboxamide
CID 24951842
3-[(1-methylpyrazol-4-yl)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1-carboxamide
CID 136511913
N-benzyl-4-(cyclobutanecarbonylamino)piperidine-1-carboxamide
CID 110821711
N-(2-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 78799184
N-[[4-(methylsulfonylmethyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55900486
1-(adamantane-1-carbonyl)-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide
CID 55962552
N-(2-adamantyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 78884210
N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 23849761
1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 1083731
N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110790600
1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106900468

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-adamantyl)-1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-adamantyl)-1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide (CID 24951840) is 4-N-(2-adamantyl)-1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-adamantyl)-1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-adamantyl)-1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide is CS(=O)(=O)c1ccc(CNC(=O)N2CCC(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)cc1.
What is the InChIKey of 4-N-(2-adamantyl)-1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is YAMMHFGKVKYSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4S/c1-33(31,32)22-4-2-16(3-5-22)15-26-25(30)28-8-6-19(7-9-28)24(29)27-23-20-11-17-10-18(13-20)14-21(23)12-17/h2-5,17-21,23H,6-15H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 4-N-(2-adamantyl)-1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide?
4-N-(2-adamantyl)-1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 473.64 g/mol, XLogP of 2.95, 5 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-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 24951840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).