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

C16H19FN4O2 — CID 167755501

IUPAC(3-fluorophenyl)-[4-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone
SMILESCN(Cc1cnon1)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H19FN4O2/c1-20(11-14-10-18-23-19-14)15-5-7-21(8-6-15)16(22)12-3-2-4-13(17)9-12/h2-4,9-10,15H,5-8,11H2,1H3
InChIKeyKNPIPFSDCCSJOF-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.95
Rot. Bonds4

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

(3-fluorophenyl)-[4-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone (PubChem CID 167755501) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone
PubChem CID167755501
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name(3-fluorophenyl)-[4-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone
SMILESCN(Cc1cnon1)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H19FN4O2/c1-20(11-14-10-18-23-19-14)15-5-7-21(8-6-15)16(22)12-3-2-4-13(17)9-12/h2-4,9-10,15H,5-8,11H2,1H3
InChIKeyKNPIPFSDCCSJOF-UHFFFAOYSA-N
XLogP1.95
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone (CID 167755501) is (3-fluorophenyl)-[4-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone is CN(Cc1cnon1)C1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone?
The InChIKey is KNPIPFSDCCSJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-20(11-14-10-18-23-19-14)15-5-7-21(8-6-15)16(22)12-3-2-4-13(17)9-12/h2-4,9-10,15H,5-8,11H2,1H3.
What are the key properties of (3-fluorophenyl)-[4-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone?
(3-fluorophenyl)-[4-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone has a molecular weight of 318.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 167755501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).