oxazinan-2-yl-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone

C14H23N5O2 — CID 42095023

IUPACoxazinan-2-yl-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone
SMILESO=C(c1cn(CCN2CCCCC2)nn1)N1CCCCO1
InChIInChI=1S/C14H23N5O2/c20-14(19-8-4-5-11-21-19)13-12-18(16-15-13)10-9-17-6-2-1-3-7-17/h12H,1-11H2
InChIKeyFLIILRZXNPLBJL-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.93
Rot. Bonds4

About oxazinan-2-yl-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone

oxazinan-2-yl-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone (PubChem CID 42095023) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is oxazinan-2-yl-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone.

Molecular Properties

Compound Nameoxazinan-2-yl-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone
PubChem CID42095023
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Nameoxazinan-2-yl-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone
SMILESO=C(c1cn(CCN2CCCCC2)nn1)N1CCCCO1
InChIInChI=1S/C14H23N5O2/c20-14(19-8-4-5-11-21-19)13-12-18(16-15-13)10-9-17-6-2-1-3-7-17/h12H,1-11H2
InChIKeyFLIILRZXNPLBJL-UHFFFAOYSA-N
XLogP0.93
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxazinan-2-yl-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone?
The IUPAC name of oxazinan-2-yl-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone (CID 42095023) is oxazinan-2-yl-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone.
What is the SMILES notation for oxazinan-2-yl-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone?
The canonical SMILES for oxazinan-2-yl-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone is O=C(c1cn(CCN2CCCCC2)nn1)N1CCCCO1.
What is the InChIKey of oxazinan-2-yl-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone?
The InChIKey is FLIILRZXNPLBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c20-14(19-8-4-5-11-21-19)13-12-18(16-15-13)10-9-17-6-2-1-3-7-17/h12H,1-11H2.
What are the key properties of oxazinan-2-yl-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone?
oxazinan-2-yl-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone has a molecular weight of 293.37 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxazinan-2-yl-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone is sourced from PubChem (CID 42095023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).