cis-(1S,3R)-3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

C13H23N5O — CID 106323453

IUPACcis-(1S,3R)-3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCN1CCN(C)C(c2noc([C@@H]3CC[C@H](N)C3)n2)C1
InChIInChI=1S/C13H23N5O/c1-17-5-6-18(2)11(8-17)12-15-13(19-16-12)9-3-4-10(14)7-9/h9-11H,3-8,14H2,1-2H3/t9-,10+,11?/m1/s1
InChIKeyRTHCBZGYJQTDFN-JKIOLJMWSA-N
MW265.36 g/mol
LogP0.58
Rot. Bonds2

About cis-(1S,3R)-3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

cis-(1S,3R)-3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 106323453) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is cis-(1S,3R)-3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID106323453
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Namecis-(1S,3R)-3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCN1CCN(C)C(c2noc([C@@H]3CC[C@H](N)C3)n2)C1
InChIInChI=1S/C13H23N5O/c1-17-5-6-18(2)11(8-17)12-15-13(19-16-12)9-3-4-10(14)7-9/h9-11H,3-8,14H2,1-2H3/t9-,10+,11?/m1/s1
InChIKeyRTHCBZGYJQTDFN-JKIOLJMWSA-N
XLogP0.58
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cis-(1S,3R)-3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine with MolForge

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Related Compounds

cis-(1S,3R)-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323443
4-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201567
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66031794
(3S,5S)-5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912421
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474164
2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979863
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66033169
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
CID 79659449
2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 113308049
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 64981970
cis-(1S,3R)-3-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 114173548
1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 79658870

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 106323453) is cis-(1S,3R)-3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is CN1CCN(C)C(c2noc([C@@H]3CC[C@H](N)C3)n2)C1.
What is the InChIKey of cis-(1S,3R)-3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is RTHCBZGYJQTDFN-JKIOLJMWSA-N. The full InChI is InChI=1S/C13H23N5O/c1-17-5-6-18(2)11(8-17)12-15-13(19-16-12)9-3-4-10(14)7-9/h9-11H,3-8,14H2,1-2H3/t9-,10+,11?/m1/s1.
What are the key properties of cis-(1S,3R)-3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
cis-(1S,3R)-3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 106323453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).