N-[1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide

C21H23FN6O3S — CID 3216018

IUPACN-[1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23FN6O3S/c1-15(16-2-4-18(22)5-3-16)24-21(29)17-10-12-27(13-11-17)32(30,31)20-8-6-19(7-9-20)28-14-23-25-26-28/h2-9,14-15,17H,10-13H2,1H3,(H,24,29)
InChIKeyKZBQOCFDOVSZKR-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.08
Rot. Bonds6

About N-[1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide

N-[1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 3216018) has the molecular formula C21H23FN6O3S and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID3216018
Molecular FormulaC21H23FN6O3S
Molecular Weight458.52 g/mol
Exact Mass458.15
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23FN6O3S/c1-15(16-2-4-18(22)5-3-16)24-21(29)17-10-12-27(13-11-17)32(30,31)20-8-6-19(7-9-20)28-14-23-25-26-28/h2-9,14-15,17H,10-13H2,1H3,(H,24,29)
InChIKeyKZBQOCFDOVSZKR-UHFFFAOYSA-N
XLogP2.08
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 25317918
1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]piperidine-4-carboxamide
CID 125075141
N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 1455565
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanone
CID 3214687
1-(4-fluorophenyl)sulfonyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202361
1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202360
1-(3,4-difluorophenyl)sulfonyl-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 26729067
N-[1-(4-chlorophenyl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55336180
(3S)-1-(4-fluorophenyl)sulfonyl-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]piperidine-3-carboxamide
CID 125074666
1-(benzenesulfonyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 26957904
N-[(1S)-1-(4-methylphenyl)ethyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 99131688
1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 28572355

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide (CID 3216018) is N-[1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide is CC(NC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is KZBQOCFDOVSZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O3S/c1-15(16-2-4-18(22)5-3-16)24-21(29)17-10-12-27(13-11-17)32(30,31)20-8-6-19(7-9-20)28-14-23-25-26-28/h2-9,14-15,17H,10-13H2,1H3,(H,24,29).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3216018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).