[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C18H23N5O2 — CID 75374153

IUPAC[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1noc(-c2cccnc2N2CCCC(C(=O)N3CCCC3)C2)n1
InChIInChI=1S/C18H23N5O2/c1-13-20-17(25-21-13)15-7-4-8-19-16(15)23-11-5-6-14(12-23)18(24)22-9-2-3-10-22/h4,7-8,14H,2-3,5-6,9-12H2,1H3
InChIKeyTZJCMXOCBIMGDU-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.28
Rot. Bonds3

About [1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 75374153) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID75374153
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1noc(-c2cccnc2N2CCCC(C(=O)N3CCCC3)C2)n1
InChIInChI=1S/C18H23N5O2/c1-13-20-17(25-21-13)15-7-4-8-19-16(15)23-11-5-6-14(12-23)18(24)22-9-2-3-10-22/h4,7-8,14H,2-3,5-6,9-12H2,1H3
InChIKeyTZJCMXOCBIMGDU-UHFFFAOYSA-N
XLogP2.28
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 75374153) is [1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is Cc1noc(-c2cccnc2N2CCCC(C(=O)N3CCCC3)C2)n1.
What is the InChIKey of [1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is TZJCMXOCBIMGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-20-17(25-21-13)15-7-4-8-19-16(15)23-11-5-6-14(12-23)18(24)22-9-2-3-10-22/h4,7-8,14H,2-3,5-6,9-12H2,1H3.
What are the key properties of [1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 341.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 75374153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).