2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone

C18H25N5O2 — CID 119880668

IUPAC2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone
SMILESCCc1noc(C(C)N2CCN(C(=O)C(N)c3ccccc3)CC2)n1
InChIInChI=1S/C18H25N5O2/c1-3-15-20-17(25-21-15)13(2)22-9-11-23(12-10-22)18(24)16(19)14-7-5-4-6-8-14/h4-8,13,16H,3,9-12,19H2,1-2H3
InChIKeyPONOBQCKSKMMQE-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.54
Rot. Bonds5

About 2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone

2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 119880668) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone
PubChem CID119880668
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone
SMILESCCc1noc(C(C)N2CCN(C(=O)C(N)c3ccccc3)CC2)n1
InChIInChI=1S/C18H25N5O2/c1-3-15-20-17(25-21-15)13(2)22-9-11-23(12-10-22)18(24)16(19)14-7-5-4-6-8-14/h4-8,13,16H,3,9-12,19H2,1-2H3
InChIKeyPONOBQCKSKMMQE-UHFFFAOYSA-N
XLogP1.54
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone with MolForge

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Related Compounds

(2S)-2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119880696
(1S)-2-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-phenylethanol
CID 95315467
1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 86895208
2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanoic acid
CID 119135360
[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 42955070
(2S)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylpropan-2-ol
CID 95299369
[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 51936604
1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 94815780
(2R)-1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 97191698
3-amino-2-methyl-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
CID 120503166
4-[(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperazine-1-carboxamide
CID 94172116
4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 95623041

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone (CID 119880668) is 2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone is CCc1noc(C(C)N2CCN(C(=O)C(N)c3ccccc3)CC2)n1.
What is the InChIKey of 2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is PONOBQCKSKMMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-15-20-17(25-21-15)13(2)22-9-11-23(12-10-22)18(24)16(19)14-7-5-4-6-8-14/h4-8,13,16H,3,9-12,19H2,1-2H3.
What are the key properties of 2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone?
2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 343.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 119880668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).