(4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methanone

C15H22F2N4O2 — CID 163358130

IUPAC(4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methanone
SMILESCc1nnc(CN2CCCC(C(=O)N3CCC(F)(F)CC3)C2)o1
InChIInChI=1S/C15H22F2N4O2/c1-11-18-19-13(23-11)10-20-6-2-3-12(9-20)14(22)21-7-4-15(16,17)5-8-21/h12H,2-10H2,1H3
InChIKeyJMGCJIOWLNGPTL-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.85
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methanone (PubChem CID 163358130) has the molecular formula C15H22F2N4O2 and a molecular weight of 328.36 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methanone
PubChem CID163358130
Molecular FormulaC15H22F2N4O2
Molecular Weight328.36 g/mol
Exact Mass328.17
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methanone
SMILESCc1nnc(CN2CCCC(C(=O)N3CCC(F)(F)CC3)C2)o1
InChIInChI=1S/C15H22F2N4O2/c1-11-18-19-13(23-11)10-20-6-2-3-12(9-20)14(22)21-7-4-15(16,17)5-8-21/h12H,2-10H2,1H3
InChIKeyJMGCJIOWLNGPTL-UHFFFAOYSA-N
XLogP1.85
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methanone (CID 163358130) is (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methanone is Cc1nnc(CN2CCCC(C(=O)N3CCC(F)(F)CC3)C2)o1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methanone?
The InChIKey is JMGCJIOWLNGPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O2/c1-11-18-19-13(23-11)10-20-6-2-3-12(9-20)14(22)21-7-4-15(16,17)5-8-21/h12H,2-10H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 328.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 163358130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).