1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidin-4-amine

C17H32N4O2 — CID 164637192

IUPAC1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)CO[C@@H](C)c1noc(CN2CCC(NC(C)C)CC2)n1
InChIInChI=1S/C17H32N4O2/c1-12(2)11-22-14(5)17-19-16(23-20-17)10-21-8-6-15(7-9-21)18-13(3)4/h12-15,18H,6-11H2,1-5H3/t14-/m0/s1
InChIKeyCDFPMSCBPIFMPH-AWEZNQCLSA-N
MW324.47 g/mol
LogP2.77
Rot. Bonds8

About 1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidin-4-amine

1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidin-4-amine (PubChem CID 164637192) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidin-4-amine
PubChem CID164637192
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidin-4-amine
SMILESCC(C)CO[C@@H](C)c1noc(CN2CCC(NC(C)C)CC2)n1
InChIInChI=1S/C17H32N4O2/c1-12(2)11-22-14(5)17-19-16(23-20-17)10-21-8-6-15(7-9-21)18-13(3)4/h12-15,18H,6-11H2,1-5H3/t14-/m0/s1
InChIKeyCDFPMSCBPIFMPH-AWEZNQCLSA-N
XLogP2.77
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of 1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidin-4-amine (CID 164637192) is 1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for 1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for 1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidin-4-amine is CC(C)CO[C@@H](C)c1noc(CN2CCC(NC(C)C)CC2)n1.
What is the InChIKey of 1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidin-4-amine?
The InChIKey is CDFPMSCBPIFMPH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-12(2)11-22-14(5)17-19-16(23-20-17)10-21-8-6-15(7-9-21)18-13(3)4/h12-15,18H,6-11H2,1-5H3/t14-/m0/s1.
What are the key properties of 1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidin-4-amine?
1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidin-4-amine has a molecular weight of 324.47 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 164637192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).