1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide

C19H23N3O4S — CID 75474412

IUPAC1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)C2CCCN(C(=O)c3ccccc3)C2)ccn1
InChIInChI=1S/C19H23N3O4S/c1-26-18-12-15(9-10-20-18)13-21-27(24,25)17-8-5-11-22(14-17)19(23)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17,21H,5,8,11,13-14H2,1H3
InChIKeyZCHCWUPLXOXDAF-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.81
Rot. Bonds6

About 1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide

1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide (PubChem CID 75474412) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide
PubChem CID75474412
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)C2CCCN(C(=O)c3ccccc3)C2)ccn1
InChIInChI=1S/C19H23N3O4S/c1-26-18-12-15(9-10-20-18)13-21-27(24,25)17-8-5-11-22(14-17)19(23)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17,21H,5,8,11,13-14H2,1H3
InChIKeyZCHCWUPLXOXDAF-UHFFFAOYSA-N
XLogP1.81
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(cyclopentanecarbonyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide
CID 97348373
(3S)-1-benzoyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide
CID 97344312
[3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone
CID 122516201
1-benzoyl-N-[(1-pyridin-4-ylcyclopropyl)methyl]piperidine-3-sulfonamide
CID 75474607
(3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200431
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47048297
(2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide
CID 94052771
1-benzoylpiperidine-3-sulfonyl chloride
CID 75480400
(2-methoxy-4-pyridinyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70710793
phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 75474346
[(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone
CID 95378554
1-benzoyl-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidine-3-sulfonamide
CID 146088384

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide?
The IUPAC name of 1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide (CID 75474412) is 1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide.
What is the SMILES notation for 1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide?
The canonical SMILES for 1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide is COc1cc(CNS(=O)(=O)C2CCCN(C(=O)c3ccccc3)C2)ccn1.
What is the InChIKey of 1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide?
The InChIKey is ZCHCWUPLXOXDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-18-12-15(9-10-20-18)13-21-27(24,25)17-8-5-11-22(14-17)19(23)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17,21H,5,8,11,13-14H2,1H3.
What are the key properties of 1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide?
1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide has a molecular weight of 389.48 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-sulfonamide is sourced from PubChem (CID 75474412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).