(5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one

C17H26N4O4 — CID 97146889

IUPAC(5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
SMILESCOCCc1noc([C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)n1
InChIInChI=1S/C17H26N4O4/c1-24-11-7-14-18-17(25-19-14)13-5-6-16(23)21(12-13)10-3-9-20-8-2-4-15(20)22/h13H,2-12H2,1H3/t13-/m1/s1
InChIKeyRYGHDAQNXHZJNV-CYBMUJFWSA-N
MW350.42 g/mol
LogP0.98
Rot. Bonds8

About (5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one

(5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one (PubChem CID 97146889) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is (5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one.

Molecular Properties

Compound Name(5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
PubChem CID97146889
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name(5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
SMILESCOCCc1noc([C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)n1
InChIInChI=1S/C17H26N4O4/c1-24-11-7-14-18-17(25-19-14)13-5-6-16(23)21(12-13)10-3-9-20-8-2-4-15(20)22/h13H,2-12H2,1H3/t13-/m1/s1
InChIKeyRYGHDAQNXHZJNV-CYBMUJFWSA-N
XLogP0.98
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one?
The IUPAC name of (5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one (CID 97146889) is (5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one.
What is the SMILES notation for (5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one?
The canonical SMILES for (5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one is COCCc1noc([C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)n1.
What is the InChIKey of (5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one?
The InChIKey is RYGHDAQNXHZJNV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-24-11-7-14-18-17(25-19-14)13-5-6-16(23)21(12-13)10-3-9-20-8-2-4-15(20)22/h13H,2-12H2,1H3/t13-/m1/s1.
What are the key properties of (5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one?
(5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one has a molecular weight of 350.42 g/mol, XLogP of 0.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one is sourced from PubChem (CID 97146889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).