4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile

C18H20N4O — CID 95780111

IUPAC4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1
InChIInChI=1S/C18H20N4O/c19-10-13-3-5-14(6-4-13)11-22-9-1-2-16(12-22)17-20-18(23-21-17)15-7-8-15/h3-6,15-16H,1-2,7-9,11-12H2/t16-/m1/s1
InChIKeyGOCKREMBXUNZBC-MRXNPFEDSA-N
MW308.38 g/mol
LogP3.20
Rot. Bonds4

About 4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile

4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile (PubChem CID 95780111) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile
PubChem CID95780111
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1
InChIInChI=1S/C18H20N4O/c19-10-13-3-5-14(6-4-13)11-22-9-1-2-16(12-22)17-20-18(23-21-17)15-7-8-15/h3-6,15-16H,1-2,7-9,11-12H2/t16-/m1/s1
InChIKeyGOCKREMBXUNZBC-MRXNPFEDSA-N
XLogP3.20
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile with MolForge

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Related Compounds

4-[1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]benzonitrile
CID 71928556
5-cyclopropyl-3-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 95780160
4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile
CID 75373779
2-cyclopropyl-5-[[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95780156
4-[[(3S)-3-aminopiperidin-1-yl]methyl]benzonitrile
CID 24904949
3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-4-methoxybenzonitrile
CID 128986531
5-cyclopropyl-3-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 97217338
5-cyclopropyl-3-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 75373746
4-[[4-oxo-8-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundec-1-yl]methyl]benzonitrile
CID 110200526
4-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86311190
4-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 113235336
4-[[3-(aminomethyl)piperidin-1-yl]methyl]benzonitrile;hydrochloride
CID 66569597

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile (CID 95780111) is 4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile is N#Cc1ccc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1.
What is the InChIKey of 4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile?
The InChIKey is GOCKREMBXUNZBC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N4O/c19-10-13-3-5-14(6-4-13)11-22-9-1-2-16(12-22)17-20-18(23-21-17)15-7-8-15/h3-6,15-16H,1-2,7-9,11-12H2/t16-/m1/s1.
What are the key properties of 4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile?
4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile has a molecular weight of 308.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 95780111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).