(1-propylsulfonylpiperidin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C18H28N4O3S — CID 3243724

IUPAC(1-propylsulfonylpiperidin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C18H28N4O3S/c1-2-14-26(24,25)22-9-5-6-16(15-22)18(23)21-12-10-20(11-13-21)17-7-3-4-8-19-17/h3-4,7-8,16H,2,5-6,9-15H2,1H3
InChIKeyRNBYJSHYHRCIFC-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.18
Rot. Bonds5

About (1-propylsulfonylpiperidin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(1-propylsulfonylpiperidin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 3243724) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is (1-propylsulfonylpiperidin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-propylsulfonylpiperidin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID3243724
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name(1-propylsulfonylpiperidin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C18H28N4O3S/c1-2-14-26(24,25)22-9-5-6-16(15-22)18(23)21-12-10-20(11-13-21)17-7-3-4-8-19-17/h3-4,7-8,16H,2,5-6,9-15H2,1H3
InChIKeyRNBYJSHYHRCIFC-UHFFFAOYSA-N
XLogP1.18
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-propylsulfonylpiperidin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-propylsulfonylpiperidin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 3243724) is (1-propylsulfonylpiperidin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-propylsulfonylpiperidin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-propylsulfonylpiperidin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is CCCS(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of (1-propylsulfonylpiperidin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is RNBYJSHYHRCIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-2-14-26(24,25)22-9-5-6-16(15-22)18(23)21-12-10-20(11-13-21)17-7-3-4-8-19-17/h3-4,7-8,16H,2,5-6,9-15H2,1H3.
What are the key properties of (1-propylsulfonylpiperidin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(1-propylsulfonylpiperidin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 380.51 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylsulfonylpiperidin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 3243724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).