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

C17H23N5O2 — CID 95287065

IUPAC3-[[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide
SMILESCc1nc(CN2CCC[C@H](NCc3cccc(C(N)=O)c3)C2)no1
InChIInChI=1S/C17H23N5O2/c1-12-20-16(21-24-12)11-22-7-3-6-15(10-22)19-9-13-4-2-5-14(8-13)17(18)23/h2,4-5,8,15,19H,3,6-7,9-11H2,1H3,(H2,18,23)/t15-/m0/s1
InChIKeyXWXQTVKBZZENLS-HNNXBMFYSA-N
MW329.40 g/mol
LogP1.23
Rot. Bonds6

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

3-[[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide (PubChem CID 95287065) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide
PubChem CID95287065
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-[[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide
SMILESCc1nc(CN2CCC[C@H](NCc3cccc(C(N)=O)c3)C2)no1
InChIInChI=1S/C17H23N5O2/c1-12-20-16(21-24-12)11-22-7-3-6-15(10-22)19-9-13-4-2-5-14(8-13)17(18)23/h2,4-5,8,15,19H,3,6-7,9-11H2,1H3,(H2,18,23)/t15-/m0/s1
InChIKeyXWXQTVKBZZENLS-HNNXBMFYSA-N
XLogP1.23
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide
CID 95614068
2-[[(3R)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 95322030
(3R)-N-(3-methylbut-2-enyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 95606411
N-(3-methylbut-2-enyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 56779683
N-[(1S)-1-(furan-2-yl)ethyl]-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]acetamide
CID 95342775
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 56780943
3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide
CID 62998980
(2S)-2-[[(3R)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95308444
N-methyl-3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzamide
CID 71872721
(2R)-2-[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95308445
azepan-1-yl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanone
CID 95316835
3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide
CID 78921069

Frequently Asked Questions

What is the IUPAC name of 3-[[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide?
The IUPAC name of 3-[[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide (CID 95287065) is 3-[[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide is Cc1nc(CN2CCC[C@H](NCc3cccc(C(N)=O)c3)C2)no1.
What is the InChIKey of 3-[[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide?
The InChIKey is XWXQTVKBZZENLS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-20-16(21-24-12)11-22-7-3-6-15(10-22)19-9-13-4-2-5-14(8-13)17(18)23/h2,4-5,8,15,19H,3,6-7,9-11H2,1H3,(H2,18,23)/t15-/m0/s1.
What are the key properties of 3-[[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide?
3-[[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide has a molecular weight of 329.40 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide is sourced from PubChem (CID 95287065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).