cyclopropyl-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone

C15H26N2O4S — CID 91916327

IUPACcyclopropyl-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(OC2CCN(C(=O)C3CC3)CC2)CC1
InChIInChI=1S/C15H26N2O4S/c1-22(19,20)17-10-6-14(7-11-17)21-13-4-8-16(9-5-13)15(18)12-2-3-12/h12-14H,2-11H2,1H3
InChIKeyKFRLEOHFZFVFOB-UHFFFAOYSA-N
MW330.45 g/mol
LogP0.83
Rot. Bonds4

About cyclopropyl-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone

cyclopropyl-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 91916327) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is cyclopropyl-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID91916327
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Namecyclopropyl-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(OC2CCN(C(=O)C3CC3)CC2)CC1
InChIInChI=1S/C15H26N2O4S/c1-22(19,20)17-10-6-14(7-11-17)21-13-4-8-16(9-5-13)15(18)12-2-3-12/h12-14H,2-11H2,1H3
InChIKeyKFRLEOHFZFVFOB-UHFFFAOYSA-N
XLogP0.83
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone (CID 91916327) is cyclopropyl-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone is CS(=O)(=O)N1CCC(OC2CCN(C(=O)C3CC3)CC2)CC1.
What is the InChIKey of cyclopropyl-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is KFRLEOHFZFVFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-22(19,20)17-10-6-14(7-11-17)21-13-4-8-16(9-5-13)15(18)12-2-3-12/h12-14H,2-11H2,1H3.
What are the key properties of cyclopropyl-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
cyclopropyl-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 330.45 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 91916327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).