N-[2-(2-fluorophenyl)ethenylsulfonyl]-4-(3-phenylpropyl)piperidine-1-carboxamide

C23H27FN2O3S — CID 54315411

IUPACN-[2-(2-fluorophenyl)ethenylsulfonyl]-4-(3-phenylpropyl)piperidine-1-carboxamide
SMILESO=C(NS(=O)(=O)C=Cc1ccccc1F)N1CCC(CCCc2ccccc2)CC1
InChIInChI=1S/C23H27FN2O3S/c24-22-12-5-4-11-21(22)15-18-30(28,29)25-23(27)26-16-13-20(14-17-26)10-6-9-19-7-2-1-3-8-19/h1-5,7-8,11-12,15,18,20H,6,9-10,13-14,16-17H2,(H,25,27)
InChIKeySNURNIPRIAUKLQ-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.57
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethenylsulfonyl]-4-(3-phenylpropyl)piperidine-1-carboxamide

N-[2-(2-fluorophenyl)ethenylsulfonyl]-4-(3-phenylpropyl)piperidine-1-carboxamide (PubChem CID 54315411) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethenylsulfonyl]-4-(3-phenylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethenylsulfonyl]-4-(3-phenylpropyl)piperidine-1-carboxamide
PubChem CID54315411
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC NameN-[2-(2-fluorophenyl)ethenylsulfonyl]-4-(3-phenylpropyl)piperidine-1-carboxamide
SMILESO=C(NS(=O)(=O)C=Cc1ccccc1F)N1CCC(CCCc2ccccc2)CC1
InChIInChI=1S/C23H27FN2O3S/c24-22-12-5-4-11-21(22)15-18-30(28,29)25-23(27)26-16-13-20(14-17-26)10-6-9-19-7-2-1-3-8-19/h1-5,7-8,11-12,15,18,20H,6,9-10,13-14,16-17H2,(H,25,27)
InChIKeySNURNIPRIAUKLQ-UHFFFAOYSA-N
XLogP4.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-phenylpropyl)piperidine-1-carboxylic acid
CID 67759674
phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503
4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide
CID 22750837
2-chloro-1-[4-(3-phenylpropyl)piperidin-1-yl]ethanone
CID 19961796
1-[[(E)-2-phenylethenyl]sulfonylcarbamoyl]piperidine-4-carboxylic acid
CID 22750857
4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid
CID 67084616
(E)-3-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one
CID 54878339
6-bromo-1-[4-(3-phenylpropyl)piperidin-1-yl]hexan-1-one
CID 70078879
7-bromo-1-[4-(3-phenylpropyl)piperidin-1-yl]heptan-1-one
CID 70078088
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
(3S)-N-(2,6-difluorophenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 28579455

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethenylsulfonyl]-4-(3-phenylpropyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethenylsulfonyl]-4-(3-phenylpropyl)piperidine-1-carboxamide (CID 54315411) is N-[2-(2-fluorophenyl)ethenylsulfonyl]-4-(3-phenylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethenylsulfonyl]-4-(3-phenylpropyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethenylsulfonyl]-4-(3-phenylpropyl)piperidine-1-carboxamide is O=C(NS(=O)(=O)C=Cc1ccccc1F)N1CCC(CCCc2ccccc2)CC1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethenylsulfonyl]-4-(3-phenylpropyl)piperidine-1-carboxamide?
The InChIKey is SNURNIPRIAUKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c24-22-12-5-4-11-21(22)15-18-30(28,29)25-23(27)26-16-13-20(14-17-26)10-6-9-19-7-2-1-3-8-19/h1-5,7-8,11-12,15,18,20H,6,9-10,13-14,16-17H2,(H,25,27).
What are the key properties of N-[2-(2-fluorophenyl)ethenylsulfonyl]-4-(3-phenylpropyl)piperidine-1-carboxamide?
N-[2-(2-fluorophenyl)ethenylsulfonyl]-4-(3-phenylpropyl)piperidine-1-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethenylsulfonyl]-4-(3-phenylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 54315411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).