1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide

C22H26N4O3S — CID 55408023

IUPAC1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide
SMILESO=C(NCCCn1cnc2ccccc21)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H26N4O3S/c27-22(23-13-6-14-25-17-24-20-9-4-5-10-21(20)25)18-11-15-26(16-12-18)30(28,29)19-7-2-1-3-8-19/h1-5,7-10,17-18H,6,11-16H2,(H,23,27)
InChIKeyCEWUVEHTCYHCKG-UHFFFAOYSA-N
MW426.54 g/mol
LogP2.64
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 55408023) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide
PubChem CID55408023
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide
SMILESO=C(NCCCn1cnc2ccccc21)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H26N4O3S/c27-22(23-13-6-14-25-17-24-20-9-4-5-10-21(20)25)18-11-15-26(16-12-18)30(28,29)19-7-2-1-3-8-19/h1-5,7-10,17-18H,6,11-16H2,(H,23,27)
InChIKeyCEWUVEHTCYHCKG-UHFFFAOYSA-N
XLogP2.64
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17478459
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(benzimidazol-1-yl)propyl]propanamide
CID 24553342
1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 55723344
1-(benzenesulfonyl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 133167065
1-(4-acetylphenyl)sulfonyl-N-(3-indol-1-ylpropyl)piperidine-4-carboxamide
CID 55349126
ethyl 4-[4-[3-(benzimidazol-1-yl)propylcarbamoyl]piperazin-1-yl]sulfonylbenzoate
CID 55457895
1-(benzenesulfonyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 55723351
(2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 103813325
1-(benzenesulfonyl)-N-[2-(4-bromopyrazol-1-yl)ethyl]piperidine-4-carboxamide
CID 19282977
1-(benzenesulfonyl)-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-4-carboxamide
CID 100646631
1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 43044329
1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8795286

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide (CID 55408023) is 1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide is O=C(NCCCn1cnc2ccccc21)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is CEWUVEHTCYHCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c27-22(23-13-6-14-25-17-24-20-9-4-5-10-21(20)25)18-11-15-26(16-12-18)30(28,29)19-7-2-1-3-8-19/h1-5,7-10,17-18H,6,11-16H2,(H,23,27).
What are the key properties of 1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 55408023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).