[(1S,3R)-3-aminocyclohexyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

C15H25N5O2 — CID 124696340

IUPAC[(1S,3R)-3-aminocyclohexyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCc1noc(CN2CCN(C(=O)[C@H]3CCC[C@@H](N)C3)CC2)n1
InChIInChI=1S/C15H25N5O2/c1-11-17-14(22-18-11)10-19-5-7-20(8-6-19)15(21)12-3-2-4-13(16)9-12/h12-13H,2-10,16H2,1H3/t12-,13+/m0/s1
InChIKeyAQONSKZPZJWYNI-QWHCGFSZSA-N
MW307.40 g/mol
LogP0.54
Rot. Bonds3

About [(1S,3R)-3-aminocyclohexyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

[(1S,3R)-3-aminocyclohexyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 124696340) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is [(1S,3R)-3-aminocyclohexyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-3-aminocyclohexyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID124696340
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name[(1S,3R)-3-aminocyclohexyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCc1noc(CN2CCN(C(=O)[C@H]3CCC[C@@H](N)C3)CC2)n1
InChIInChI=1S/C15H25N5O2/c1-11-17-14(22-18-11)10-19-5-7-20(8-6-19)15(21)12-3-2-4-13(16)9-12/h12-13H,2-10,16H2,1H3/t12-,13+/m0/s1
InChIKeyAQONSKZPZJWYNI-QWHCGFSZSA-N
XLogP0.54
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-aminocyclohexyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [(1S,3R)-3-aminocyclohexyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone (CID 124696340) is [(1S,3R)-3-aminocyclohexyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(1S,3R)-3-aminocyclohexyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [(1S,3R)-3-aminocyclohexyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone is Cc1noc(CN2CCN(C(=O)[C@H]3CCC[C@@H](N)C3)CC2)n1.
What is the InChIKey of [(1S,3R)-3-aminocyclohexyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is AQONSKZPZJWYNI-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11-17-14(22-18-11)10-19-5-7-20(8-6-19)15(21)12-3-2-4-13(16)9-12/h12-13H,2-10,16H2,1H3/t12-,13+/m0/s1.
What are the key properties of [(1S,3R)-3-aminocyclohexyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
[(1S,3R)-3-aminocyclohexyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 307.40 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-aminocyclohexyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 124696340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).