1'-(1,3,4-oxadiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]

C16H19N3O2 — CID 175929220

IUPAC1'-(1,3,4-oxadiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESc1ccc2c(c1)CCC1(CCN(Cc3nnco3)CC1)O2
InChIInChI=1S/C16H19N3O2/c1-2-4-14-13(3-1)5-6-16(21-14)7-9-19(10-8-16)11-15-18-17-12-20-15/h1-4,12H,5-11H2
InChIKeyIDYXKRSJALVANV-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.43
Rot. Bonds2

About 1'-(1,3,4-oxadiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]

1'-(1,3,4-oxadiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 175929220) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1'-(1,3,4-oxadiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-(1,3,4-oxadiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID175929220
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1'-(1,3,4-oxadiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESc1ccc2c(c1)CCC1(CCN(Cc3nnco3)CC1)O2
InChIInChI=1S/C16H19N3O2/c1-2-4-14-13(3-1)5-6-16(21-14)7-9-19(10-8-16)11-15-18-17-12-20-15/h1-4,12H,5-11H2
InChIKeyIDYXKRSJALVANV-UHFFFAOYSA-N
XLogP2.43
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(1,3,4-oxadiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 1'-(1,3,4-oxadiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine] (CID 175929220) is 1'-(1,3,4-oxadiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 1'-(1,3,4-oxadiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 1'-(1,3,4-oxadiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine] is c1ccc2c(c1)CCC1(CCN(Cc3nnco3)CC1)O2.
What is the InChIKey of 1'-(1,3,4-oxadiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is IDYXKRSJALVANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-4-14-13(3-1)5-6-16(21-14)7-9-19(10-8-16)11-15-18-17-12-20-15/h1-4,12H,5-11H2.
What are the key properties of 1'-(1,3,4-oxadiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
1'-(1,3,4-oxadiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 285.35 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1,3,4-oxadiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 175929220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).