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

C17H17ClN4O — CID 133475002

IUPAC4-chloro-2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile
SMILESN#Cc1ccc(Cl)cc1N1CCC(c2noc(C3CC3)n2)CC1
InChIInChI=1S/C17H17ClN4O/c18-14-4-3-13(10-19)15(9-14)22-7-5-11(6-8-22)16-20-17(23-21-16)12-1-2-12/h3-4,9,11-12H,1-2,5-8H2
InChIKeyDBUFXRGURLEOLY-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.86
Rot. Bonds3

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

4-chloro-2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile (PubChem CID 133475002) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-chloro-2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile
PubChem CID133475002
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name4-chloro-2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile
SMILESN#Cc1ccc(Cl)cc1N1CCC(c2noc(C3CC3)n2)CC1
InChIInChI=1S/C17H17ClN4O/c18-14-4-3-13(10-19)15(9-14)22-7-5-11(6-8-22)16-20-17(23-21-16)12-1-2-12/h3-4,9,11-12H,1-2,5-8H2
InChIKeyDBUFXRGURLEOLY-UHFFFAOYSA-N
XLogP3.86
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-3-[1-(2-fluoro-4-nitrophenyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133475093
5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 133475245
5-cyclopropyl-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133474987
5-fluoro-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile
CID 71924088
3-[1-(1-chloroisoquinolin-3-yl)piperidin-4-yl]-5-cyclopropyl-1,2,4-oxadiazole
CID 133475197
5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 133475123
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 133474956
methyl 2-chloro-4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-nitrobenzoate
CID 133474967
3-[1-(5-chloro-2-cyanophenyl)piperidin-4-yl]propanoic acid
CID 63081906
4-chloro-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]benzonitrile
CID 56793477
2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 129482332
4-chloro-2-cyclopropylbenzonitrile
CID 90240370

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile?
The IUPAC name of 4-chloro-2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile (CID 133475002) is 4-chloro-2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile.
What is the SMILES notation for 4-chloro-2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile?
The canonical SMILES for 4-chloro-2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile is N#Cc1ccc(Cl)cc1N1CCC(c2noc(C3CC3)n2)CC1.
What is the InChIKey of 4-chloro-2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile?
The InChIKey is DBUFXRGURLEOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-14-4-3-13(10-19)15(9-14)22-7-5-11(6-8-22)16-20-17(23-21-16)12-1-2-12/h3-4,9,11-12H,1-2,5-8H2.
What are the key properties of 4-chloro-2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile?
4-chloro-2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile has a molecular weight of 328.80 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile is sourced from PubChem (CID 133475002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).