1-(benzenesulfonyl)-6-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide

C23H26N4O3S — CID 67253779

IUPAC1-(benzenesulfonyl)-6-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1cn[nH]c1)C1CCC(c2ccccc2)N(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C23H26N4O3S/c28-23(24-14-13-18-15-25-26-16-18)20-11-12-22(19-7-3-1-4-8-19)27(17-20)31(29,30)21-9-5-2-6-10-21/h1-10,15-16,20,22H,11-14,17H2,(H,24,28)(H,25,26)
InChIKeyIZFZMALGTGGDDH-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.91
Rot. Bonds7

About 1-(benzenesulfonyl)-6-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide

1-(benzenesulfonyl)-6-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide (PubChem CID 67253779) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
PubChem CID67253779
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name1-(benzenesulfonyl)-6-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1cn[nH]c1)C1CCC(c2ccccc2)N(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C23H26N4O3S/c28-23(24-14-13-18-15-25-26-16-18)20-11-12-22(19-7-3-1-4-8-19)27(17-20)31(29,30)21-9-5-2-6-10-21/h1-10,15-16,20,22H,11-14,17H2,(H,24,28)(H,25,26)
InChIKeyIZFZMALGTGGDDH-UHFFFAOYSA-N
XLogP2.91
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-6-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide (CID 67253779) is 1-(benzenesulfonyl)-6-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-6-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-6-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide is O=C(NCCc1cn[nH]c1)C1CCC(c2ccccc2)N(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-6-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is IZFZMALGTGGDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c28-23(24-14-13-18-15-25-26-16-18)20-11-12-22(19-7-3-1-4-8-19)27(17-20)31(29,30)21-9-5-2-6-10-21/h1-10,15-16,20,22H,11-14,17H2,(H,24,28)(H,25,26).
What are the key properties of 1-(benzenesulfonyl)-6-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-6-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 67253779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).