N-(5-hydroxy-2-adamantyl)-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxamide

C23H33N3O4S — CID 24954685

IUPACN-(5-hydroxy-2-adamantyl)-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)C1CCN(S(=O)(=O)CCc2ccccn2)CC1
InChIInChI=1S/C23H33N3O4S/c27-22(25-21-18-11-16-12-19(21)15-23(28,13-16)14-18)17-4-8-26(9-5-17)31(29,30)10-6-20-3-1-2-7-24-20/h1-3,7,16-19,21,28H,4-6,8-15H2,(H,25,27)
InChIKeyJUJUQZOMDFYVEJ-UHFFFAOYSA-N
MW447.60 g/mol
LogP1.72
Rot. Bonds6

About N-(5-hydroxy-2-adamantyl)-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxamide

N-(5-hydroxy-2-adamantyl)-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxamide (PubChem CID 24954685) has the molecular formula C23H33N3O4S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-(5-hydroxy-2-adamantyl)-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-adamantyl)-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxamide
PubChem CID24954685
Molecular FormulaC23H33N3O4S
Molecular Weight447.60 g/mol
Exact Mass447.22
IUPAC NameN-(5-hydroxy-2-adamantyl)-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)C1CCN(S(=O)(=O)CCc2ccccn2)CC1
InChIInChI=1S/C23H33N3O4S/c27-22(25-21-18-11-16-12-19(21)15-23(28,13-16)14-18)17-4-8-26(9-5-17)31(29,30)10-6-20-3-1-2-7-24-20/h1-3,7,16-19,21,28H,4-6,8-15H2,(H,25,27)
InChIKeyJUJUQZOMDFYVEJ-UHFFFAOYSA-N
XLogP1.72
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide
CID 24955047
ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate
CID 23959675
(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol
CID 79030740
[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol
CID 54878771
1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60864901
1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol
CID 63106619
N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60865084
2-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylic acid
CID 106742336
methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate
CID 78920725
1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
CID 66202357
N-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide
CID 54591981
1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide
CID 71146847

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-adamantyl)-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-hydroxy-2-adamantyl)-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxamide (CID 24954685) is N-(5-hydroxy-2-adamantyl)-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-adamantyl)-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-adamantyl)-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)C1CCN(S(=O)(=O)CCc2ccccn2)CC1.
What is the InChIKey of N-(5-hydroxy-2-adamantyl)-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxamide?
The InChIKey is JUJUQZOMDFYVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4S/c27-22(25-21-18-11-16-12-19(21)15-23(28,13-16)14-18)17-4-8-26(9-5-17)31(29,30)10-6-20-3-1-2-7-24-20/h1-3,7,16-19,21,28H,4-6,8-15H2,(H,25,27).
What are the key properties of N-(5-hydroxy-2-adamantyl)-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxamide?
N-(5-hydroxy-2-adamantyl)-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxamide has a molecular weight of 447.60 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-adamantyl)-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 24954685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).