(4-benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone

C19H28N2O3S — CID 1082618

IUPAC(4-benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C19H28N2O3S/c1-25(23,24)21-13-9-18(10-14-21)19(22)20-11-7-17(8-12-20)15-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3
InChIKeyGAHWSTZNKNYMGF-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.14
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone

(4-benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 1082618) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID1082618
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name(4-benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C19H28N2O3S/c1-25(23,24)21-13-9-18(10-14-21)19(22)20-11-7-17(8-12-20)15-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3
InChIKeyGAHWSTZNKNYMGF-UHFFFAOYSA-N
XLogP2.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone (CID 1082618) is (4-benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone is CS(=O)(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is GAHWSTZNKNYMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-25(23,24)21-13-9-18(10-14-21)19(22)20-11-7-17(8-12-20)15-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
(4-benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 364.51 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 1082618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).