2-cyclohexyl-1-[4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone

C17H28N4O2 — CID 95284978

IUPAC2-cyclohexyl-1-[4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
SMILESCc1nnc([C@@H](C)N2CCN(C(=O)CC3CCCCC3)CC2)o1
InChIInChI=1S/C17H28N4O2/c1-13(17-19-18-14(2)23-17)20-8-10-21(11-9-20)16(22)12-15-6-4-3-5-7-15/h13,15H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyIKKFIFPRMMHDKX-CYBMUJFWSA-N
MW320.44 g/mol
LogP2.55
Rot. Bonds4

About 2-cyclohexyl-1-[4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 95284978) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID95284978
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-cyclohexyl-1-[4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
SMILESCc1nnc([C@@H](C)N2CCN(C(=O)CC3CCCCC3)CC2)o1
InChIInChI=1S/C17H28N4O2/c1-13(17-19-18-14(2)23-17)20-8-10-21(11-9-20)16(22)12-15-6-4-3-5-7-15/h13,15H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyIKKFIFPRMMHDKX-CYBMUJFWSA-N
XLogP2.55
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexyl-1-[4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]ethanone
CID 95173794
2-cyclopentyl-1-[4-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepan-1-yl]ethanone
CID 95327340
3-(4-methoxyphenyl)-1-[4-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 51126431
[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 95138768
methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate
CID 95292536
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]methanone
CID 95579476
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987
(2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95318440
[4-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 95579506
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110610747
(2R)-2-cyclohexyl-4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 129345080

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone (CID 95284978) is 2-cyclohexyl-1-[4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone is Cc1nnc([C@@H](C)N2CCN(C(=O)CC3CCCCC3)CC2)o1.
What is the InChIKey of 2-cyclohexyl-1-[4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is IKKFIFPRMMHDKX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13(17-19-18-14(2)23-17)20-8-10-21(11-9-20)16(22)12-15-6-4-3-5-7-15/h13,15H,3-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-cyclohexyl-1-[4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 320.44 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95284978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).