4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylaniline

C18H26N4O — CID 89112807

IUPAC4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylaniline
SMILESCCc1noc(CN2CCC(c3cc(C)c(N)cc3C)CC2)n1
InChIInChI=1S/C18H26N4O/c1-4-17-20-18(23-21-17)11-22-7-5-14(6-8-22)15-9-13(3)16(19)10-12(15)2/h9-10,14H,4-8,11,19H2,1-3H3
InChIKeyMDWZWFWOPIWBBQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.21
Rot. Bonds4

About 4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylaniline

4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylaniline (PubChem CID 89112807) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylaniline.

Molecular Properties

Compound Name4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylaniline
PubChem CID89112807
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylaniline
SMILESCCc1noc(CN2CCC(c3cc(C)c(N)cc3C)CC2)n1
InChIInChI=1S/C18H26N4O/c1-4-17-20-18(23-21-17)11-22-7-5-14(6-8-22)15-9-13(3)16(19)10-12(15)2/h9-10,14H,4-8,11,19H2,1-3H3
InChIKeyMDWZWFWOPIWBBQ-UHFFFAOYSA-N
XLogP3.21
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylaniline?
The IUPAC name of 4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylaniline (CID 89112807) is 4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylaniline.
What is the SMILES notation for 4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylaniline?
The canonical SMILES for 4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylaniline is CCc1noc(CN2CCC(c3cc(C)c(N)cc3C)CC2)n1.
What is the InChIKey of 4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylaniline?
The InChIKey is MDWZWFWOPIWBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-4-17-20-18(23-21-17)11-22-7-5-14(6-8-22)15-9-13(3)16(19)10-12(15)2/h9-10,14H,4-8,11,19H2,1-3H3.
What are the key properties of 4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylaniline?
4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylaniline has a molecular weight of 314.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylaniline is sourced from PubChem (CID 89112807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).