(3S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperazin-2-one

C13H22N4O2 — CID 164633884

IUPAC(3S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperazin-2-one
SMILESCCCCc1nc(CN2CCNC(=O)[C@@H]2CC)no1
InChIInChI=1S/C13H22N4O2/c1-3-5-6-12-15-11(16-19-12)9-17-8-7-14-13(18)10(17)4-2/h10H,3-9H2,1-2H3,(H,14,18)/t10-/m0/s1
InChIKeyLZQKTHVLWPWZCM-JTQLQIEISA-N
MW266.34 g/mol
LogP1.12
Rot. Bonds6

About (3S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperazin-2-one

(3S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperazin-2-one (PubChem CID 164633884) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (3S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperazin-2-one
PubChem CID164633884
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(3S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperazin-2-one
SMILESCCCCc1nc(CN2CCNC(=O)[C@@H]2CC)no1
InChIInChI=1S/C13H22N4O2/c1-3-5-6-12-15-11(16-19-12)9-17-8-7-14-13(18)10(17)4-2/h10H,3-9H2,1-2H3,(H,14,18)/t10-/m0/s1
InChIKeyLZQKTHVLWPWZCM-JTQLQIEISA-N
XLogP1.12
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperazin-2-one?
The IUPAC name of (3S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperazin-2-one (CID 164633884) is (3S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for (3S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperazin-2-one?
The canonical SMILES for (3S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperazin-2-one is CCCCc1nc(CN2CCNC(=O)[C@@H]2CC)no1.
What is the InChIKey of (3S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperazin-2-one?
The InChIKey is LZQKTHVLWPWZCM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-5-6-12-15-11(16-19-12)9-17-8-7-14-13(18)10(17)4-2/h10H,3-9H2,1-2H3,(H,14,18)/t10-/m0/s1.
What are the key properties of (3S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperazin-2-one?
(3S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperazin-2-one has a molecular weight of 266.34 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 164633884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).