1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide

C18H23N3O3S — CID 113008386

IUPAC1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C18H23N3O3S/c1-2-13-25(23,24)21-11-8-15(9-12-21)18(22)20-16-7-3-5-14-6-4-10-19-17(14)16/h3-7,10,15H,2,8-9,11-13H2,1H3,(H,20,22)
InChIKeyBCOYFNLTRINZFB-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.63
Rot. Bonds5

About 1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide

1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide (PubChem CID 113008386) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
PubChem CID113008386
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C18H23N3O3S/c1-2-13-25(23,24)21-11-8-15(9-12-21)18(22)20-16-7-3-5-14-6-4-10-19-17(14)16/h3-7,10,15H,2,8-9,11-13H2,1H3,(H,20,22)
InChIKeyBCOYFNLTRINZFB-UHFFFAOYSA-N
XLogP2.63
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 3192941
1-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123137
1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 134160181
N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007558
1-(3-acetylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123306
4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide
CID 20895152
1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008357
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008383
1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 47387426
1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008372

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide?
The IUPAC name of 1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide (CID 113008386) is 1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)Nc2cccc3cccnc23)CC1.
What is the InChIKey of 1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide?
The InChIKey is BCOYFNLTRINZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-2-13-25(23,24)21-11-8-15(9-12-21)18(22)20-16-7-3-5-14-6-4-10-19-17(14)16/h3-7,10,15H,2,8-9,11-13H2,1H3,(H,20,22).
What are the key properties of 1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide?
1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide is sourced from PubChem (CID 113008386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).