5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

C15H22N6O2 — CID 96513956

IUPAC5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCCc1noc([C@@H](C)N2CCC[C@H](c3cc(C(N)=O)n[nH]3)C2)n1
InChIInChI=1S/C15H22N6O2/c1-3-13-17-15(23-20-13)9(2)21-6-4-5-10(8-21)11-7-12(14(16)22)19-18-11/h7,9-10H,3-6,8H2,1-2H3,(H2,16,22)(H,18,19)/t9-,10+/m1/s1
InChIKeyRZIZVZMUTSOTOH-ZJUUUORDSA-N
MW318.38 g/mol
LogP1.39
Rot. Bonds5

About 5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 96513956) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID96513956
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCCc1noc([C@@H](C)N2CCC[C@H](c3cc(C(N)=O)n[nH]3)C2)n1
InChIInChI=1S/C15H22N6O2/c1-3-13-17-15(23-20-13)9(2)21-6-4-5-10(8-21)11-7-12(14(16)22)19-18-11/h7,9-10H,3-6,8H2,1-2H3,(H2,16,22)(H,18,19)/t9-,10+/m1/s1
InChIKeyRZIZVZMUTSOTOH-ZJUUUORDSA-N
XLogP1.39
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3S)-1-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97318255
5-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514043
5-[(3S)-1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97021234
5-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 75373902
1-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488731
3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 75378433
[1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]methanol
CID 111750179
1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone
CID 115092508
5-[(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514045
5-[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96513943
5-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927110
3-benzyl-5-[(1R)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95777047

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 96513956) is 5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is CCc1noc([C@@H](C)N2CCC[C@H](c3cc(C(N)=O)n[nH]3)C2)n1.
What is the InChIKey of 5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is RZIZVZMUTSOTOH-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-3-13-17-15(23-20-13)9(2)21-6-4-5-10(8-21)11-7-12(14(16)22)19-18-11/h7,9-10H,3-6,8H2,1-2H3,(H2,16,22)(H,18,19)/t9-,10+/m1/s1.
What are the key properties of 5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 96513956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).