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

C17H29N5O3 — CID 125147274

IUPAC[(1S,3S)-3-aminocyclopentyl]-[4-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCCO[C@H](C)c1noc(CN2CCN(C(=O)[C@H]3CC[C@H](N)C3)CC2)n1
InChIInChI=1S/C17H29N5O3/c1-3-24-12(2)16-19-15(25-20-16)11-21-6-8-22(9-7-21)17(23)13-4-5-14(18)10-13/h12-14H,3-11,18H2,1-2H3/t12-,13+,14+/m1/s1
InChIKeyWTIIXOMAWGENOY-RDBSUJKOSA-N
MW351.45 g/mol
LogP0.94
Rot. Bonds6

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

[(1S,3S)-3-aminocyclopentyl]-[4-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 125147274) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is [(1S,3S)-3-aminocyclopentyl]-[4-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,3S)-3-aminocyclopentyl]-[4-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID125147274
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC Name[(1S,3S)-3-aminocyclopentyl]-[4-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCCO[C@H](C)c1noc(CN2CCN(C(=O)[C@H]3CC[C@H](N)C3)CC2)n1
InChIInChI=1S/C17H29N5O3/c1-3-24-12(2)16-19-15(25-20-16)11-21-6-8-22(9-7-21)17(23)13-4-5-14(18)10-13/h12-14H,3-11,18H2,1-2H3/t12-,13+,14+/m1/s1
InChIKeyWTIIXOMAWGENOY-RDBSUJKOSA-N
XLogP0.94
TPSA97.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-aminocyclopentyl]-[4-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of [(1S,3S)-3-aminocyclopentyl]-[4-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone (CID 125147274) is [(1S,3S)-3-aminocyclopentyl]-[4-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(1S,3S)-3-aminocyclopentyl]-[4-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for [(1S,3S)-3-aminocyclopentyl]-[4-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone is CCO[C@H](C)c1noc(CN2CCN(C(=O)[C@H]3CC[C@H](N)C3)CC2)n1.
What is the InChIKey of [(1S,3S)-3-aminocyclopentyl]-[4-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is WTIIXOMAWGENOY-RDBSUJKOSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-3-24-12(2)16-19-15(25-20-16)11-21-6-8-22(9-7-21)17(23)13-4-5-14(18)10-13/h12-14H,3-11,18H2,1-2H3/t12-,13+,14+/m1/s1.
What are the key properties of [(1S,3S)-3-aminocyclopentyl]-[4-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
[(1S,3S)-3-aminocyclopentyl]-[4-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 351.45 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-aminocyclopentyl]-[4-[[3-[(1R)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 125147274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).