1-[2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyrrolidin-2-one

C17H29N5O2 — CID 95278614

IUPAC1-[2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyrrolidin-2-one
SMILESCC(C)c1noc([C@@H](C)N2CCN(CCN3CCCC3=O)CC2)n1
InChIInChI=1S/C17H29N5O2/c1-13(2)16-18-17(24-19-16)14(3)21-10-7-20(8-11-21)9-12-22-6-4-5-15(22)23/h13-14H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyXLZFPCFBXVWYLV-CQSZACIVSA-N
MW335.45 g/mol
LogP1.49
Rot. Bonds6

About 1-[2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyrrolidin-2-one

1-[2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 95278614) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID95278614
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name1-[2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyrrolidin-2-one
SMILESCC(C)c1noc([C@@H](C)N2CCN(CCN3CCCC3=O)CC2)n1
InChIInChI=1S/C17H29N5O2/c1-13(2)16-18-17(24-19-16)14(3)21-10-7-20(8-11-21)9-12-22-6-4-5-15(22)23/h13-14H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyXLZFPCFBXVWYLV-CQSZACIVSA-N
XLogP1.49
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-sulfonamide
CID 86922813
1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 94000707
(3R)-3-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]oxolan-2-one
CID 95280047
3-propyl-5-[(1S)-1-(4-propylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95285928
5-[(1R)-1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 30741315
4-[[1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methyl]morpholine
CID 94412485
3-[2-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 95284690
(2R)-1-[4-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95309892
1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111554317
2-cyclopropyl-5-[[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 95280329
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 111114050
3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 35017329

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyrrolidin-2-one (CID 95278614) is 1-[2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyrrolidin-2-one is CC(C)c1noc([C@@H](C)N2CCN(CCN3CCCC3=O)CC2)n1.
What is the InChIKey of 1-[2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is XLZFPCFBXVWYLV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-13(2)16-18-17(24-19-16)14(3)21-10-7-20(8-11-21)9-12-22-6-4-5-15(22)23/h13-14H,4-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 335.45 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 95278614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).