1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

C21H30N4O3S — CID 53085588

IUPAC1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc1
InChIInChI=1S/C21H30N4O3S/c1-15(2)17-5-7-19(8-6-17)23-21(26)18-9-11-25(12-10-18)29(27,28)20-13-24(14-22-20)16(3)4/h5-8,13-16,18H,9-12H2,1-4H3,(H,23,26)
InChIKeyVOBZQMMOJZKLOO-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.63
Rot. Bonds6

About 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 53085588) has the molecular formula C21H30N4O3S and a molecular weight of 418.56 g/mol. Its IUPAC name is 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID53085588
Molecular FormulaC21H30N4O3S
Molecular Weight418.56 g/mol
Exact Mass418.20
IUPAC Name1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc1
InChIInChI=1S/C21H30N4O3S/c1-15(2)17-5-7-19(8-6-17)23-21(26)18-9-11-25(12-10-18)29(27,28)20-13-24(14-22-20)16(3)4/h5-8,13-16,18H,9-12H2,1-4H3,(H,23,26)
InChIKeyVOBZQMMOJZKLOO-UHFFFAOYSA-N
XLogP3.63
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (CID 53085588) is 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cn(C(C)C)cn3)CC2)cc1.
What is the InChIKey of 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is VOBZQMMOJZKLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S/c1-15(2)17-5-7-19(8-6-17)23-21(26)18-9-11-25(12-10-18)29(27,28)20-13-24(14-22-20)16(3)4/h5-8,13-16,18H,9-12H2,1-4H3,(H,23,26).
What are the key properties of 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 418.56 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53085588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).