1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide

C19H21N3O3S — CID 26592122

IUPAC1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccnc1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H21N3O3S/c23-19(21-18-7-4-11-20-15-18)17-8-12-22(13-9-17)26(24,25)14-10-16-5-2-1-3-6-16/h1-7,10-11,14-15,17H,8-9,12-13H2,(H,21,23)/b14-10+
InChIKeyAYFBVDYDEYPICR-GXDHUFHOSA-N
MW371.46 g/mol
LogP2.73
Rot. Bonds5

About 1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide

1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide (PubChem CID 26592122) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
PubChem CID26592122
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccnc1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H21N3O3S/c23-19(21-18-7-4-11-20-15-18)17-8-12-22(13-9-17)26(24,25)14-10-16-5-2-1-3-6-16/h1-7,10-11,14-15,17H,8-9,12-13H2,(H,21,23)/b14-10+
InChIKeyAYFBVDYDEYPICR-GXDHUFHOSA-N
XLogP2.73
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-nitrophenyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 9410934
1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 26087824
N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 76859981
1-[(E)-2-phenylethenyl]sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 86847677
1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 51148743
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 18209133
1-[(E)-2-phenylethenyl]sulfonyl-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 26290697
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 74659700
1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 6458338
N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide
CID 9480115
N-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55648219
N-[(2R)-5-methylhexan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 8000435

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide (CID 26592122) is 1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide is O=C(Nc1cccnc1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide?
The InChIKey is AYFBVDYDEYPICR-GXDHUFHOSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-19(21-18-7-4-11-20-15-18)17-8-12-22(13-9-17)26(24,25)14-10-16-5-2-1-3-6-16/h1-7,10-11,14-15,17H,8-9,12-13H2,(H,21,23)/b14-10+.
What are the key properties of 1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide?
1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 26592122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).