(3S)-4-cyclopentyl-3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one

C16H22N6O2 — CID 28925948

IUPAC(3S)-4-cyclopentyl-3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
SMILESCn1cnc(-c2noc(C[C@H]3C(=O)NCCN3C3CCCC3)n2)c1
InChIInChI=1S/C16H22N6O2/c1-21-9-12(18-10-21)15-19-14(24-20-15)8-13-16(23)17-6-7-22(13)11-4-2-3-5-11/h9-11,13H,2-8H2,1H3,(H,17,23)/t13-/m0/s1
InChIKeyPXXIFUNBTPPDCD-ZDUSSCGKSA-N
MW330.39 g/mol
LogP0.76
Rot. Bonds4

About (3S)-4-cyclopentyl-3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one

(3S)-4-cyclopentyl-3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one (PubChem CID 28925948) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (3S)-4-cyclopentyl-3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name(3S)-4-cyclopentyl-3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
PubChem CID28925948
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name(3S)-4-cyclopentyl-3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
SMILESCn1cnc(-c2noc(C[C@H]3C(=O)NCCN3C3CCCC3)n2)c1
InChIInChI=1S/C16H22N6O2/c1-21-9-12(18-10-21)15-19-14(24-20-15)8-13-16(23)17-6-7-22(13)11-4-2-3-5-11/h9-11,13H,2-8H2,1H3,(H,17,23)/t13-/m0/s1
InChIKeyPXXIFUNBTPPDCD-ZDUSSCGKSA-N
XLogP0.76
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-cyclopentyl-3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
The IUPAC name of (3S)-4-cyclopentyl-3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one (CID 28925948) is (3S)-4-cyclopentyl-3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one.
What is the SMILES notation for (3S)-4-cyclopentyl-3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
The canonical SMILES for (3S)-4-cyclopentyl-3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one is Cn1cnc(-c2noc(C[C@H]3C(=O)NCCN3C3CCCC3)n2)c1.
What is the InChIKey of (3S)-4-cyclopentyl-3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
The InChIKey is PXXIFUNBTPPDCD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-21-9-12(18-10-21)15-19-14(24-20-15)8-13-16(23)17-6-7-22(13)11-4-2-3-5-11/h9-11,13H,2-8H2,1H3,(H,17,23)/t13-/m0/s1.
What are the key properties of (3S)-4-cyclopentyl-3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
(3S)-4-cyclopentyl-3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one has a molecular weight of 330.39 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-cyclopentyl-3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one is sourced from PubChem (CID 28925948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).