1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide

C26H33N3O3S — CID 71146754

IUPAC1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
SMILESO=C(NC1CCC2CC3CC2CC1C3)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C26H33N3O3S/c30-26(28-23-7-6-20-13-17-14-21(20)16-22(23)15-17)19-8-11-29(12-9-19)33(31,32)24-5-1-3-18-4-2-10-27-25(18)24/h1-5,10,17,19-23H,6-9,11-16H2,(H,28,30)
InChIKeyHEVKHESMOOQWTQ-UHFFFAOYSA-N
MW467.64 g/mol
LogP3.97
Rot. Bonds4

About 1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide

1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide (PubChem CID 71146754) has the molecular formula C26H33N3O3S and a molecular weight of 467.64 g/mol. Its IUPAC name is 1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
PubChem CID71146754
Molecular FormulaC26H33N3O3S
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC Name1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
SMILESO=C(NC1CCC2CC3CC2CC1C3)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C26H33N3O3S/c30-26(28-23-7-6-20-13-17-14-21(20)16-22(23)15-17)19-8-11-29(12-9-19)33(31,32)24-5-1-3-18-4-2-10-27-25(18)24/h1-5,10,17,19-23H,6-9,11-16H2,(H,28,30)
InChIKeyHEVKHESMOOQWTQ-UHFFFAOYSA-N
XLogP3.97
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
CID 71146746
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5308867
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5309306
N-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5309699
(4-pyridin-2-ylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
CID 3239277
8-piperidin-1-ylsulfonylquinoline
CID 768759
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990230
8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline
CID 131703897
8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
CID 99816764
N-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 58702062

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide?
The IUPAC name of 1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide (CID 71146754) is 1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide?
The canonical SMILES for 1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide is O=C(NC1CCC2CC3CC2CC1C3)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of 1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide?
The InChIKey is HEVKHESMOOQWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3S/c30-26(28-23-7-6-20-13-17-14-21(20)16-22(23)15-17)19-8-11-29(12-9-19)33(31,32)24-5-1-3-18-4-2-10-27-25(18)24/h1-5,10,17,19-23H,6-9,11-16H2,(H,28,30).
What are the key properties of 1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide?
1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide has a molecular weight of 467.64 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide is sourced from PubChem (CID 71146754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).