1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide

C21H25N3O3S — CID 51148743

IUPAC1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccncc1
InChIInChI=1S/C21H25N3O3S/c1-17(19-7-12-22-13-8-19)23-21(25)20-9-14-24(15-10-20)28(26,27)16-11-18-5-3-2-4-6-18/h2-8,11-13,16-17,20H,9-10,14-15H2,1H3,(H,23,25)/b16-11+
InChIKeyYANIREJZHWPMHX-LFIBNONCSA-N
MW399.52 g/mol
LogP2.97
Rot. Bonds6

About 1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide

1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 51148743) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide
PubChem CID51148743
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccncc1
InChIInChI=1S/C21H25N3O3S/c1-17(19-7-12-22-13-8-19)23-21(25)20-9-14-24(15-10-20)28(26,27)16-11-18-5-3-2-4-6-18/h2-8,11-13,16-17,20H,9-10,14-15H2,1H3,(H,23,25)/b16-11+
InChIKeyYANIREJZHWPMHX-LFIBNONCSA-N
XLogP2.97
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-5-methylhexan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 8000435
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 8756858
1-[(E)-2-phenylethenyl]sulfonyl-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 26290697
1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26592122
N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide
CID 9480115
N-[cyclopentyl(thiophen-2-yl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 46457437
1-[(E)-2-phenylethenyl]sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 86847677
N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 76859981
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 9476349
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 74659700
N-[[2-(hydroxymethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 135337016
1-[bis(2-methylpropyl)sulfamoyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 20968188

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide (CID 51148743) is 1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccncc1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is YANIREJZHWPMHX-LFIBNONCSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-17(19-7-12-22-13-8-19)23-21(25)20-9-14-24(15-10-20)28(26,27)16-11-18-5-3-2-4-6-18/h2-8,11-13,16-17,20H,9-10,14-15H2,1H3,(H,23,25)/b16-11+.
What are the key properties of 1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide?
1-[(E)-2-phenylethenyl]sulfonyl-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 2.97, 6 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-(1-pyridin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 51148743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).