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

C20H28N4O2 — CID 97315741

IUPAC[4-[(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCCc1nnc([C@@H](C)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)o1
InChIInChI=1S/C20H28N4O2/c1-5-18-21-22-19(26-18)15(4)23-10-12-24(13-11-23)20(25)17-8-6-16(7-9-17)14(2)3/h6-9,14-15H,5,10-13H2,1-4H3/t15-/m1/s1
InChIKeyCTVPZWYLHZFGBG-OAHLLOKOSA-N
MW356.47 g/mol
LogP3.27
Rot. Bonds5

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

[4-[(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 97315741) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [4-[(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID97315741
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name[4-[(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCCc1nnc([C@@H](C)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)o1
InChIInChI=1S/C20H28N4O2/c1-5-18-21-22-19(26-18)15(4)23-10-12-24(13-11-23)20(25)17-8-6-16(7-9-17)14(2)3/h6-9,14-15H,5,10-13H2,1-4H3/t15-/m1/s1
InChIKeyCTVPZWYLHZFGBG-OAHLLOKOSA-N
XLogP3.27
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2051023
[4-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 100672915
[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 42955070
N-(3-chlorophenyl)-4-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 71931752
(4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 36876738
[4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 30803824
[4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone
CID 8597061
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one
CID 110419772
[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 30803811
[4-(4,5-dimethyl-1,2,4-triazol-3-yl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 126812437
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110417276
[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 51936604

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [4-[(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (CID 97315741) is [4-[(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [4-[(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [4-[(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is CCc1nnc([C@@H](C)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)o1.
What is the InChIKey of [4-[(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is CTVPZWYLHZFGBG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-5-18-21-22-19(26-18)15(4)23-10-12-24(13-11-23)20(25)17-8-6-16(7-9-17)14(2)3/h6-9,14-15H,5,10-13H2,1-4H3/t15-/m1/s1.
What are the key properties of [4-[(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
[4-[(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 356.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 97315741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).