N-(1-benzylsulfonylpiperidin-4-yl)quinoline-8-carboxamide

C22H23N3O3S — CID 86967936

IUPACN-(1-benzylsulfonylpiperidin-4-yl)quinoline-8-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cccc2cccnc12
InChIInChI=1S/C22H23N3O3S/c26-22(20-10-4-8-18-9-5-13-23-21(18)20)24-19-11-14-25(15-12-19)29(27,28)16-17-6-2-1-3-7-17/h1-10,13,19H,11-12,14-16H2,(H,24,26)
InChIKeyATVYLOHPJJMRBE-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.96
Rot. Bonds5

About N-(1-benzylsulfonylpiperidin-4-yl)quinoline-8-carboxamide

N-(1-benzylsulfonylpiperidin-4-yl)quinoline-8-carboxamide (PubChem CID 86967936) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(1-benzylsulfonylpiperidin-4-yl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(1-benzylsulfonylpiperidin-4-yl)quinoline-8-carboxamide
PubChem CID86967936
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-(1-benzylsulfonylpiperidin-4-yl)quinoline-8-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cccc2cccnc12
InChIInChI=1S/C22H23N3O3S/c26-22(20-10-4-8-18-9-5-13-23-21(18)20)24-19-11-14-25(15-12-19)29(27,28)16-17-6-2-1-3-7-17/h1-10,13,19H,11-12,14-16H2,(H,24,26)
InChIKeyATVYLOHPJJMRBE-UHFFFAOYSA-N
XLogP2.96
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzylsulfonyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 55721872
N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine
CID 119980282
N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 122140778
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide
CID 69380368
N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide
CID 55126983
1-(1-benzylsulfonylpiperidin-4-yl)-3-propan-2-ylurea
CID 110823299
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide
CID 119330438
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide;hydrochloride
CID 119330437
N-(1-benzylsulfonylpiperidin-4-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119795840
N-(1-benzylsulfonylpiperidin-4-yl)-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
CID 86967943

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)quinoline-8-carboxamide?
The IUPAC name of N-(1-benzylsulfonylpiperidin-4-yl)quinoline-8-carboxamide (CID 86967936) is N-(1-benzylsulfonylpiperidin-4-yl)quinoline-8-carboxamide.
What is the SMILES notation for N-(1-benzylsulfonylpiperidin-4-yl)quinoline-8-carboxamide?
The canonical SMILES for N-(1-benzylsulfonylpiperidin-4-yl)quinoline-8-carboxamide is O=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cccc2cccnc12.
What is the InChIKey of N-(1-benzylsulfonylpiperidin-4-yl)quinoline-8-carboxamide?
The InChIKey is ATVYLOHPJJMRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c26-22(20-10-4-8-18-9-5-13-23-21(18)20)24-19-11-14-25(15-12-19)29(27,28)16-17-6-2-1-3-7-17/h1-10,13,19H,11-12,14-16H2,(H,24,26).
What are the key properties of N-(1-benzylsulfonylpiperidin-4-yl)quinoline-8-carboxamide?
N-(1-benzylsulfonylpiperidin-4-yl)quinoline-8-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylsulfonylpiperidin-4-yl)quinoline-8-carboxamide is sourced from PubChem (CID 86967936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).