2-[(3S)-4-ethyl-3-fluoropiperidin-1-yl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone

C12H18FN3O2 — CID 139353765

IUPAC2-[(3S)-4-ethyl-3-fluoropiperidin-1-yl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone
SMILESCCC1CCN(CC(=O)c2nc(C)no2)C[C@H]1F
InChIInChI=1S/C12H18FN3O2/c1-3-9-4-5-16(6-10(9)13)7-11(17)12-14-8(2)15-18-12/h9-10H,3-7H2,1-2H3/t9?,10-/m1/s1
InChIKeyORSVPAYHHPVECK-QVDQXJPCSA-N
MW255.29 g/mol
LogP1.63
Rot. Bonds4

About 2-[(3S)-4-ethyl-3-fluoropiperidin-1-yl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone

2-[(3S)-4-ethyl-3-fluoropiperidin-1-yl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone (PubChem CID 139353765) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-[(3S)-4-ethyl-3-fluoropiperidin-1-yl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-[(3S)-4-ethyl-3-fluoropiperidin-1-yl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone
PubChem CID139353765
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name2-[(3S)-4-ethyl-3-fluoropiperidin-1-yl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone
SMILESCCC1CCN(CC(=O)c2nc(C)no2)C[C@H]1F
InChIInChI=1S/C12H18FN3O2/c1-3-9-4-5-16(6-10(9)13)7-11(17)12-14-8(2)15-18-12/h9-10H,3-7H2,1-2H3/t9?,10-/m1/s1
InChIKeyORSVPAYHHPVECK-QVDQXJPCSA-N
XLogP1.63
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-ethyl-3-fluoropiperidin-1-yl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone?
The IUPAC name of 2-[(3S)-4-ethyl-3-fluoropiperidin-1-yl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone (CID 139353765) is 2-[(3S)-4-ethyl-3-fluoropiperidin-1-yl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone.
What is the SMILES notation for 2-[(3S)-4-ethyl-3-fluoropiperidin-1-yl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone?
The canonical SMILES for 2-[(3S)-4-ethyl-3-fluoropiperidin-1-yl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone is CCC1CCN(CC(=O)c2nc(C)no2)C[C@H]1F.
What is the InChIKey of 2-[(3S)-4-ethyl-3-fluoropiperidin-1-yl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone?
The InChIKey is ORSVPAYHHPVECK-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-3-9-4-5-16(6-10(9)13)7-11(17)12-14-8(2)15-18-12/h9-10H,3-7H2,1-2H3/t9?,10-/m1/s1.
What are the key properties of 2-[(3S)-4-ethyl-3-fluoropiperidin-1-yl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone?
2-[(3S)-4-ethyl-3-fluoropiperidin-1-yl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone has a molecular weight of 255.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-ethyl-3-fluoropiperidin-1-yl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone is sourced from PubChem (CID 139353765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).