1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide

C21H21N3O3S — CID 6458338

IUPAC1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H21N3O3S/c25-21(23-19-6-3-11-22-15-19)17-9-12-24(13-10-17)28(26,27)20-8-7-16-4-1-2-5-18(16)14-20/h1-8,11,14-15,17H,9-10,12-13H2,(H,23,25)
InChIKeyQBXJKHRGYHTEEF-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.27
Rot. Bonds4

About 1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide

1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide (PubChem CID 6458338) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
PubChem CID6458338
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H21N3O3S/c25-21(23-19-6-3-11-22-15-19)17-9-12-24(13-10-17)28(26,27)20-8-7-16-4-1-2-5-18(16)14-20/h1-8,11,14-15,17H,9-10,12-13H2,(H,23,25)
InChIKeyQBXJKHRGYHTEEF-UHFFFAOYSA-N
XLogP3.27
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 30859604
1-(4-propan-2-ylphenyl)sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26591934
N-(4-acetamidophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26499572
1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
CID 55834624
N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26795871
N-(2-chlorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26574910
N-(3-chloro-4-fluorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26695983
N-(5-methyl-2-pyridinyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 25162169
N-(1,3-benzodioxol-5-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26532315
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
N-(3-nitrophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39887346
1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 24511493

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide (CID 6458338) is 1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide is O=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide?
The InChIKey is QBXJKHRGYHTEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c25-21(23-19-6-3-11-22-15-19)17-9-12-24(13-10-17)28(26,27)20-8-7-16-4-1-2-5-18(16)14-20/h1-8,11,14-15,17H,9-10,12-13H2,(H,23,25).
What are the key properties of 1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide?
1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 6458338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).