(4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone

C22H33N3O5S — CID 55950973

IUPAC(4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone
SMILESCC1CCN(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)o3)CC2)CC1
InChIInChI=1S/C22H33N3O5S/c1-17-7-13-23(14-8-17)21(26)18-9-15-24(16-10-18)22(27)19-5-6-20(30-19)31(28,29)25-11-3-2-4-12-25/h5-6,17-18H,2-4,7-16H2,1H3
InChIKeyKQRAKRYRBZTBAN-UHFFFAOYSA-N
MW451.59 g/mol
LogP2.56
Rot. Bonds4

About (4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone

(4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 55950973) has the molecular formula C22H33N3O5S and a molecular weight of 451.59 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone
PubChem CID55950973
Molecular FormulaC22H33N3O5S
Molecular Weight451.59 g/mol
Exact Mass451.21
IUPAC Name(4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone
SMILESCC1CCN(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)o3)CC2)CC1
InChIInChI=1S/C22H33N3O5S/c1-17-7-13-23(14-8-17)21(26)18-9-15-24(16-10-18)22(27)19-5-6-20(30-19)31(28,29)25-11-3-2-4-12-25/h5-6,17-18H,2-4,7-16H2,1H3
InChIKeyKQRAKRYRBZTBAN-UHFFFAOYSA-N
XLogP2.56
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

5-[4-(3-methylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 119184796
5-(4-methylpiperidine-1-carbonyl)furan-2-sulfonamide
CID 47176543
N-(5-methyl-1,2-oxazol-3-yl)-1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidine-4-carboxamide
CID 55633803
(4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 3690578
5-[4-(1,4-oxazepane-4-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 119182628
5-[4-(2,5-dimethylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylfuran-2-carboxylic acid
CID 120552103
(2-methyl-6-phenylmorpholin-4-yl)-(5-piperidin-1-ylsulfonylfuran-2-yl)methanone
CID 47913591
5-(3-methylpiperidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 43149837
(4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 55873374
methyl 5-pyrrolidin-1-ylsulfonylfuran-2-carboxylate
CID 716787
2-(4-piperidin-1-ylsulfonylphenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 55469023
[1-(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469270

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone (CID 55950973) is (4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone is CC1CCN(C(=O)C2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)o3)CC2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is KQRAKRYRBZTBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O5S/c1-17-7-13-23(14-8-17)21(26)18-9-15-24(16-10-18)22(27)19-5-6-20(30-19)31(28,29)25-11-3-2-4-12-25/h5-6,17-18H,2-4,7-16H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone?
(4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 451.59 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-(5-piperidin-1-ylsulfonylfuran-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 55950973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).