1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C18H26N4O — CID 30852488

IUPAC1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCCN1CCC[C@@H](CN(C)Cc2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C18H26N4O/c1-3-22-11-7-8-15(13-22)12-21(2)14-17-19-18(20-23-17)16-9-5-4-6-10-16/h4-6,9-10,15H,3,7-8,11-14H2,1-2H3/t15-/m0/s1
InChIKeyPLUFRFGVJLFCJK-HNNXBMFYSA-N
MW314.43 g/mol
LogP2.90
Rot. Bonds6

About 1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 30852488) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID30852488
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCCN1CCC[C@@H](CN(C)Cc2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C18H26N4O/c1-3-22-11-7-8-15(13-22)12-21(2)14-17-19-18(20-23-17)16-9-5-4-6-10-16/h4-6,9-10,15H,3,7-8,11-14H2,1-2H3/t15-/m0/s1
InChIKeyPLUFRFGVJLFCJK-HNNXBMFYSA-N
XLogP2.90
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 30852832
2-[4-[[methyl-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 86895167
N-methyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
CID 119919242
(4S)-4-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 125173745
5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 166258341
5-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 52525759
4-[[methyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-phenylpyrrolidin-2-one
CID 118779674
5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 91828517
3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 46982575
N-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 29208508
3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole
CID 154128947
1-(dimethylsulfamoyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 132663033

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 30852488) is 1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is CCN1CCC[C@@H](CN(C)Cc2nc(-c3ccccc3)no2)C1.
What is the InChIKey of 1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is PLUFRFGVJLFCJK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-3-22-11-7-8-15(13-22)12-21(2)14-17-19-18(20-23-17)16-9-5-4-6-10-16/h4-6,9-10,15H,3,7-8,11-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 314.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-ethylpiperidin-3-yl]-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 30852488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).