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

C16H27N5O2 — CID 55432083

IUPAC1-(azepan-1-yl)-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCc1nnc(CN2CCN(CC(=O)N3CCCCCC3)CC2)o1
InChIInChI=1S/C16H27N5O2/c1-14-17-18-15(23-14)12-19-8-10-20(11-9-19)13-16(22)21-6-4-2-3-5-7-21/h2-13H2,1H3
InChIKeyJLHOCISSUAKNBL-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.90
Rot. Bonds4

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

1-(azepan-1-yl)-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 55432083) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
PubChem CID55432083
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name1-(azepan-1-yl)-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCc1nnc(CN2CCN(CC(=O)N3CCCCCC3)CC2)o1
InChIInChI=1S/C16H27N5O2/c1-14-17-18-15(23-14)12-19-8-10-20(11-9-19)13-16(22)21-6-4-2-3-5-7-21/h2-13H2,1H3
InChIKeyJLHOCISSUAKNBL-UHFFFAOYSA-N
XLogP0.90
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperidin-1-ylpropan-1-one
CID 71684068
N,N-dimethyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carboxamide
CID 38131946
2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 110395525
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110713119
N-cyclohexyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carboxamide
CID 110395570
[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]-piperidin-1-ylmethanone
CID 146078314
2-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 171996122
3-(4-tert-butylphenyl)-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 110395606
2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-1-(azepan-1-yl)ethanone
CID 120752571
N-benzyl-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 24613930
[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 110658400
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 71942307

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone (CID 55432083) is 1-(azepan-1-yl)-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone is Cc1nnc(CN2CCN(CC(=O)N3CCCCCC3)CC2)o1.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is JLHOCISSUAKNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-14-17-18-15(23-14)12-19-8-10-20(11-9-19)13-16(22)21-6-4-2-3-5-7-21/h2-13H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone?
1-(azepan-1-yl)-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 321.43 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 55432083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).