(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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Related Compounds

1-(2-methoxyethyl)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72882973
(5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97157056
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 72870039
(5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 97123469
1-[(2-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72892271
1-[(3-fluorophenyl)methyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72838295
(3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione
CID 165426313
5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one
CID 72872779
4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 154759331
4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 71801329
3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 70955476
1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72941264

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).