1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide

C18H21FN4O2 — CID 173138107

IUPAC1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1Cc1nc(C2(c3ccc(F)cc3)CC2)no1
InChIInChI=1S/C18H21FN4O2/c19-13-6-4-12(5-7-13)18(8-9-18)17-21-15(25-22-17)11-23-10-2-1-3-14(23)16(20)24/h4-7,14H,1-3,8-11H2,(H2,20,24)
InChIKeyQHPAVNVFMLLHIY-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.13
Rot. Bonds5

About 1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide

1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide (PubChem CID 173138107) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide
PubChem CID173138107
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1Cc1nc(C2(c3ccc(F)cc3)CC2)no1
InChIInChI=1S/C18H21FN4O2/c19-13-6-4-12(5-7-13)18(8-9-18)17-21-15(25-22-17)11-23-10-2-1-3-14(23)16(20)24/h4-7,14H,1-3,8-11H2,(H2,20,24)
InChIKeyQHPAVNVFMLLHIY-UHFFFAOYSA-N
XLogP2.13
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide?
The IUPAC name of 1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide (CID 173138107) is 1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1Cc1nc(C2(c3ccc(F)cc3)CC2)no1.
What is the InChIKey of 1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide?
The InChIKey is QHPAVNVFMLLHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-13-6-4-12(5-7-13)18(8-9-18)17-21-15(25-22-17)11-23-10-2-1-3-14(23)16(20)24/h4-7,14H,1-3,8-11H2,(H2,20,24).
What are the key properties of 1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide?
1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 173138107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).