[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone

C17H22N4O2 — CID 26408898

IUPAC[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCCCc1noc(CN2CCC[C@H](C(=O)c3ccccn3)C2)n1
InChIInChI=1S/C17H22N4O2/c1-2-6-15-19-16(23-20-15)12-21-10-5-7-13(11-21)17(22)14-8-3-4-9-18-14/h3-4,8-9,13H,2,5-7,10-12H2,1H3/t13-/m0/s1
InChIKeyIYDXPOCTHLXMMI-ZDUSSCGKSA-N
MW314.39 g/mol
LogP2.51
Rot. Bonds6

About [(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone

[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone (PubChem CID 26408898) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
PubChem CID26408898
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCCCc1noc(CN2CCC[C@H](C(=O)c3ccccn3)C2)n1
InChIInChI=1S/C17H22N4O2/c1-2-6-15-19-16(23-20-15)12-21-10-5-7-13(11-21)17(22)14-8-3-4-9-18-14/h3-4,8-9,13H,2,5-7,10-12H2,1H3/t13-/m0/s1
InChIKeyIYDXPOCTHLXMMI-ZDUSSCGKSA-N
XLogP2.51
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

(1-methylimidazol-2-yl)-[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 42147518
pyridin-2-yl-[1-[[3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanone
CID 45182952
[1-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 45219214
methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79038420
[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99959880
ethyl (3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 81338191
morpholin-4-yl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 56706828
[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99926517
[(3S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99929635
[(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124852139
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 43440669
[(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 95202414

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone (CID 26408898) is [(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone is CCCc1noc(CN2CCC[C@H](C(=O)c3ccccn3)C2)n1.
What is the InChIKey of [(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The InChIKey is IYDXPOCTHLXMMI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-6-15-19-16(23-20-15)12-21-10-5-7-13(11-21)17(22)14-8-3-4-9-18-14/h3-4,8-9,13H,2,5-7,10-12H2,1H3/t13-/m0/s1.
What are the key properties of [(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone?
[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone has a molecular weight of 314.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 26408898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).