(2,6-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

C18H26N2O3S — CID 4654304

IUPAC(2,6-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-14-6-5-7-15(2)20(14)18(21)16-8-10-17(11-9-16)24(22,23)19-12-3-4-13-19/h8-11,14-15H,3-7,12-13H2,1-2H3
InChIKeyQPDVKCBVZNOSOJ-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.87
Rot. Bonds3

About (2,6-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

(2,6-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 4654304) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID4654304
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCC1CCCC(C)N1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-14-6-5-7-15(2)20(14)18(21)16-8-10-17(11-9-16)24(22,23)19-12-3-4-13-19/h8-11,14-15H,3-7,12-13H2,1-2H3
InChIKeyQPDVKCBVZNOSOJ-UHFFFAOYSA-N
XLogP2.87
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 4654304) is (2,6-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is CC1CCCC(C)N1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is QPDVKCBVZNOSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-14-6-5-7-15(2)20(14)18(21)16-8-10-17(11-9-16)24(22,23)19-12-3-4-13-19/h8-11,14-15H,3-7,12-13H2,1-2H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
(2,6-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 350.48 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 4654304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).