3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide

C18H25N5O2 — CID 95614068

IUPAC3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide
SMILESCCc1nc(CN2CCC[C@@H](NCc3cccc(C(N)=O)c3)C2)no1
InChIInChI=1S/C18H25N5O2/c1-2-17-21-16(22-25-17)12-23-8-4-7-15(11-23)20-10-13-5-3-6-14(9-13)18(19)24/h3,5-6,9,15,20H,2,4,7-8,10-12H2,1H3,(H2,19,24)/t15-/m1/s1
InChIKeyIGAUHNAFRMLCJK-OAHLLOKOSA-N
MW343.43 g/mol
LogP1.49
Rot. Bonds7

About 3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide

3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide (PubChem CID 95614068) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide
PubChem CID95614068
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide
SMILESCCc1nc(CN2CCC[C@@H](NCc3cccc(C(N)=O)c3)C2)no1
InChIInChI=1S/C18H25N5O2/c1-2-17-21-16(22-25-17)12-23-8-4-7-15(11-23)20-10-13-5-3-6-14(9-13)18(19)24/h3,5-6,9,15,20H,2,4,7-8,10-12H2,1H3,(H2,19,24)/t15-/m1/s1
InChIKeyIGAUHNAFRMLCJK-OAHLLOKOSA-N
XLogP1.49
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide with MolForge

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Related Compounds

3-[[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide
CID 95287065
2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol
CID 95299359
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
CID 95339980
2-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-4-ylacetamide
CID 95334722
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918906
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(Z)-3-phenylprop-2-enyl]piperidin-3-amine
CID 98511917
5-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514043
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 107225702
3-[[[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]amino]methyl]benzoic acid
CID 122031077
ethyl 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxylate
CID 61357063
N-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]quinazolin-4-amine
CID 95289671
3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide
CID 62998980

Frequently Asked Questions

What is the IUPAC name of 3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide?
The IUPAC name of 3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide (CID 95614068) is 3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide is CCc1nc(CN2CCC[C@@H](NCc3cccc(C(N)=O)c3)C2)no1.
What is the InChIKey of 3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide?
The InChIKey is IGAUHNAFRMLCJK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-2-17-21-16(22-25-17)12-23-8-4-7-15(11-23)20-10-13-5-3-6-14(9-13)18(19)24/h3,5-6,9,15,20H,2,4,7-8,10-12H2,1H3,(H2,19,24)/t15-/m1/s1.
What are the key properties of 3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide?
3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide has a molecular weight of 343.43 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide is sourced from PubChem (CID 95614068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).