[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone

C16H22N4O2 — CID 136578697

IUPAC[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone
SMILESCc1noc(C2CCN(C(=O)c3cc(C)n(C)c3C)CC2)n1
InChIInChI=1S/C16H22N4O2/c1-10-9-14(11(2)19(10)4)16(21)20-7-5-13(6-8-20)15-17-12(3)18-22-15/h9,13H,5-8H2,1-4H3
InChIKeyYRKQEBGZUCCKKZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.35
Rot. Bonds2

About [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone

[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone (PubChem CID 136578697) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone
PubChem CID136578697
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone
SMILESCc1noc(C2CCN(C(=O)c3cc(C)n(C)c3C)CC2)n1
InChIInChI=1S/C16H22N4O2/c1-10-9-14(11(2)19(10)4)16(21)20-7-5-13(6-8-20)15-17-12(3)18-22-15/h9,13H,5-8H2,1-4H3
InChIKeyYRKQEBGZUCCKKZ-UHFFFAOYSA-N
XLogP2.35
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone?
The IUPAC name of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone (CID 136578697) is [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone.
What is the SMILES notation for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone?
The canonical SMILES for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone is Cc1noc(C2CCN(C(=O)c3cc(C)n(C)c3C)CC2)n1.
What is the InChIKey of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone?
The InChIKey is YRKQEBGZUCCKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10-9-14(11(2)19(10)4)16(21)20-7-5-13(6-8-20)15-17-12(3)18-22-15/h9,13H,5-8H2,1-4H3.
What are the key properties of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone?
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone is sourced from PubChem (CID 136578697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).