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

C17H22FN5O2 — CID 68861822

IUPAC[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3nnc(C)o3)CC2)nc1
InChIInChI=1S/C17H22FN5O2/c1-12-3-4-14(20-9-12)10-19-11-17(18)5-7-23(8-6-17)16(24)15-22-21-13(2)25-15/h3-4,9,19H,5-8,10-11H2,1-2H3
InChIKeyAUKWBPOVZQTNHO-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.82
Rot. Bonds5

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

[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 68861822) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID68861822
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1ccc(CNCC2(F)CCN(C(=O)c3nnc(C)o3)CC2)nc1
InChIInChI=1S/C17H22FN5O2/c1-12-3-4-14(20-9-12)10-19-11-17(18)5-7-23(8-6-17)16(24)15-22-21-13(2)25-15/h3-4,9,19H,5-8,10-11H2,1-2H3
InChIKeyAUKWBPOVZQTNHO-UHFFFAOYSA-N
XLogP1.82
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone (CID 68861822) is [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone is Cc1ccc(CNCC2(F)CCN(C(=O)c3nnc(C)o3)CC2)nc1.
What is the InChIKey of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is AUKWBPOVZQTNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-12-3-4-14(20-9-12)10-19-11-17(18)5-7-23(8-6-17)16(24)15-22-21-13(2)25-15/h3-4,9,19H,5-8,10-11H2,1-2H3.
What are the key properties of [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone?
[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 347.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 68861822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).