1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone

C19H26N4O2 — CID 133342561

IUPAC1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone
SMILESCC(C)c1noc(NCC(=O)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H26N4O2/c1-14(2)18-21-19(25-22-18)20-13-17(24)23-10-8-16(9-11-23)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,21,22)
InChIKeyWAMWWTSUKPPLHJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.09
Rot. Bonds6

About 1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone

1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone (PubChem CID 133342561) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone
PubChem CID133342561
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone
SMILESCC(C)c1noc(NCC(=O)N2CCC(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H26N4O2/c1-14(2)18-21-19(25-22-18)20-13-17(24)23-10-8-16(9-11-23)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,21,22)
InChIKeyWAMWWTSUKPPLHJ-UHFFFAOYSA-N
XLogP3.09
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone with MolForge

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Related Compounds

2-phenyl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 175667258
1-(4-benzylpiperidin-1-yl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 25238340
1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone
CID 133342486
1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone
CID 133342559
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
CID 122048849
1-(4-benzylpiperidin-1-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethanone
CID 133342535
1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone
CID 109006353
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide
CID 112995482
2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133342557
(2S,3S)-2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099788

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone (CID 133342561) is 1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone is CC(C)c1noc(NCC(=O)N2CCC(Cc3ccccc3)CC2)n1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone?
The InChIKey is WAMWWTSUKPPLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)18-21-19(25-22-18)20-13-17(24)23-10-8-16(9-11-23)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,21,22).
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone?
1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone has a molecular weight of 342.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone is sourced from PubChem (CID 133342561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).