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

C18H23N5O2 — CID 25308007

IUPAC[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1noc(-c2ccc(N3CCC(C(=O)N4CCCC4)CC3)nc2)n1
InChIInChI=1S/C18H23N5O2/c1-13-20-17(25-21-13)15-4-5-16(19-12-15)22-10-6-14(7-11-22)18(24)23-8-2-3-9-23/h4-5,12,14H,2-3,6-11H2,1H3
InChIKeyIKBCNCYPYCEECR-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.28
Rot. Bonds3

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

[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 25308007) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID25308007
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1noc(-c2ccc(N3CCC(C(=O)N4CCCC4)CC3)nc2)n1
InChIInChI=1S/C18H23N5O2/c1-13-20-17(25-21-13)15-4-5-16(19-12-15)22-10-6-14(7-11-22)18(24)23-8-2-3-9-23/h4-5,12,14H,2-3,6-11H2,1H3
InChIKeyIKBCNCYPYCEECR-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-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 25308007) is [1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1noc(-c2ccc(N3CCC(C(=O)N4CCCC4)CC3)nc2)n1.
What is the InChIKey of [1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is IKBCNCYPYCEECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-20-17(25-21-13)15-4-5-16(19-12-15)22-10-6-14(7-11-22)18(24)23-8-2-3-9-23/h4-5,12,14H,2-3,6-11H2,1H3.
What are the key properties of [1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-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-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 25308007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).