N-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

C25H35N3O3S — CID 58702062

IUPACN-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)(C)C1CCC(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)CC1
InChIInChI=1S/C25H35N3O3S/c1-25(2,3)20-11-13-21(14-12-20)27-24(29)19-9-6-16-28(17-19)32(30,31)22-10-4-7-18-8-5-15-26-23(18)22/h4-5,7-8,10,15,19-21H,6,9,11-14,16-17H2,1-3H3,(H,27,29)
InChIKeyZARPZNWKCRZPPA-UHFFFAOYSA-N
MW457.64 g/mol
LogP4.36
Rot. Bonds4

About N-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide

N-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (PubChem CID 58702062) has the molecular formula C25H35N3O3S and a molecular weight of 457.64 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
PubChem CID58702062
Molecular FormulaC25H35N3O3S
Molecular Weight457.64 g/mol
Exact Mass457.24
IUPAC NameN-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)(C)C1CCC(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)CC1
InChIInChI=1S/C25H35N3O3S/c1-25(2,3)20-11-13-21(14-12-20)27-24(29)19-9-6-16-28(17-19)32(30,31)22-10-4-7-18-8-5-15-26-23(18)22/h4-5,7-8,10,15,19-21H,6,9,11-14,16-17H2,1-3H3,(H,27,29)
InChIKeyZARPZNWKCRZPPA-UHFFFAOYSA-N
XLogP4.36
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 20876129
ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate
CID 2917197
N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 20876140
N-(3,4-difluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 20876148
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cyclopentylpiperidine-3-carboxamide
CID 4306785
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 5307238
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone
CID 5309633
(3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 7014300
8-piperidin-1-ylsulfonylquinoline
CID 768759
N-(4-hydroxycyclohexyl)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 73023864
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]piperidine-3-carboxamide
CID 58656350

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide (CID 58702062) is N-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is CC(C)(C)C1CCC(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is ZARPZNWKCRZPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3S/c1-25(2,3)20-11-13-21(14-12-20)27-24(29)19-9-6-16-28(17-19)32(30,31)22-10-4-7-18-8-5-15-26-23(18)22/h4-5,7-8,10,15,19-21H,6,9,11-14,16-17H2,1-3H3,(H,27,29).
What are the key properties of N-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide?
N-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 457.64 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 58702062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).