N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine

C13H24N4O — CID 28526049

IUPACN,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCN(CC)CCc1noc([C@H]2CCCNC2)n1
InChIInChI=1S/C13H24N4O/c1-3-17(4-2)9-7-12-15-13(18-16-12)11-6-5-8-14-10-11/h11,14H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyVSCKXPIVEDJJJF-NSHDSACASA-N
MW252.36 g/mol
LogP1.42
Rot. Bonds6

About N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine

N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 28526049) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID28526049
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCCN(CC)CCc1noc([C@H]2CCCNC2)n1
InChIInChI=1S/C13H24N4O/c1-3-17(4-2)9-7-12-15-13(18-16-12)11-6-5-8-14-10-11/h11,14H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyVSCKXPIVEDJJJF-NSHDSACASA-N
XLogP1.42
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 106814721
5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104911956
N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 115077717
3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96690532
3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911754
5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole
CID 104911775
N,N-diethyl-2-[5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79369553
3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911863
3-[(3,5-dimethylphenyl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62594260
5-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole
CID 102548111
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine (CID 28526049) is N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine is CCN(CC)CCc1noc([C@H]2CCCNC2)n1.
What is the InChIKey of N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is VSCKXPIVEDJJJF-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-17(4-2)9-7-12-15-13(18-16-12)11-6-5-8-14-10-11/h11,14H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine?
N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 252.36 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 28526049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).