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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Related Compounds

3-[1-(4-fluorophenyl)cyclopropyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 143660624
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442013
(2R)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide
CID 97332136
(2S)-1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]piperidine-2-carboxamide
CID 97332137
1-[[3-[(3S)-3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one
CID 95212564
1-[2-[(2S)-1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 25449787
3-[3-[1-(4-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 166239044
[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 60684976
1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide
CID 107113264
N-[[3-[3-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 45190975
3-[1-(4-methylphenyl)cyclopentyl]-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 29085110
3-[1-(4-fluorophenyl)cyclohexyl]-5-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 70307987

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).