cyclopropyl-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methanone

C16H24N4O2 — CID 74231786

IUPACcyclopropyl-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCCC1c1nc(C2CCOCC2)n[nH]1
InChIInChI=1S/C16H24N4O2/c21-16(12-4-5-12)20-8-2-1-3-13(20)15-17-14(18-19-15)11-6-9-22-10-7-11/h11-13H,1-10H2,(H,17,18,19)
InChIKeyJFIJIEKRBGDBOS-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.16
Rot. Bonds3

About cyclopropyl-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methanone

cyclopropyl-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methanone (PubChem CID 74231786) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is cyclopropyl-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methanone
PubChem CID74231786
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Namecyclopropyl-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCCC1c1nc(C2CCOCC2)n[nH]1
InChIInChI=1S/C16H24N4O2/c21-16(12-4-5-12)20-8-2-1-3-13(20)15-17-14(18-19-15)11-6-9-22-10-7-11/h11-13H,1-10H2,(H,17,18,19)
InChIKeyJFIJIEKRBGDBOS-UHFFFAOYSA-N
XLogP2.16
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methanone (CID 74231786) is cyclopropyl-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCCCC1c1nc(C2CCOCC2)n[nH]1.
What is the InChIKey of cyclopropyl-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is JFIJIEKRBGDBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-16(12-4-5-12)20-8-2-1-3-13(20)15-17-14(18-19-15)11-6-9-22-10-7-11/h11-13H,1-10H2,(H,17,18,19).
What are the key properties of cyclopropyl-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methanone?
cyclopropyl-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 74231786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).