(3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide

C19H24N4O3 — CID 97189926

IUPAC(3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@@H](C(=O)NCc2noc(Cc3ccccc3)n2)C1
InChIInChI=1S/C19H24N4O3/c1-2-18(24)23-10-6-9-15(13-23)19(25)20-12-16-21-17(26-22-16)11-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,20,25)/t15-/m1/s1
InChIKeyWVXSMBLYSAVASW-OAHLLOKOSA-N
MW356.43 g/mol
LogP1.93
Rot. Bonds6

About (3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide

(3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 97189926) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID97189926
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@@H](C(=O)NCc2noc(Cc3ccccc3)n2)C1
InChIInChI=1S/C19H24N4O3/c1-2-18(24)23-10-6-9-15(13-23)19(25)20-12-16-21-17(26-22-16)11-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,20,25)/t15-/m1/s1
InChIKeyWVXSMBLYSAVASW-OAHLLOKOSA-N
XLogP1.93
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
(3S)-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 97188840
(3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide
CID 97155010
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 70750335
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
CID 47049072
cis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 92903083
N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 83286879
(3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 97478212
N-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814453
(3R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 94817629
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide (CID 97189926) is (3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCC[C@@H](C(=O)NCc2noc(Cc3ccccc3)n2)C1.
What is the InChIKey of (3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is WVXSMBLYSAVASW-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-2-18(24)23-10-6-9-15(13-23)19(25)20-12-16-21-17(26-22-16)11-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H,20,25)/t15-/m1/s1.
What are the key properties of (3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide?
(3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 97189926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).