ethane;1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone

C14H26N4O — CID 167456513

IUPACethane;1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone
SMILESCC.CC(C)C1CCN(C(=O)Cn2nccn2)CC1
InChIInChI=1S/C12H20N4O.C2H6/c1-10(2)11-3-7-15(8-4-11)12(17)9-16-13-5-6-14-16;1-2/h5-6,10-11H,3-4,7-9H2,1-2H3;1-2H3
InChIKeyYOIFBJYSYCLYQZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.20
Rot. Bonds3

About ethane;1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone

ethane;1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone (PubChem CID 167456513) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is ethane;1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone
PubChem CID167456513
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Nameethane;1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone
SMILESCC.CC(C)C1CCN(C(=O)Cn2nccn2)CC1
InChIInChI=1S/C12H20N4O.C2H6/c1-10(2)11-3-7-15(8-4-11)12(17)9-16-13-5-6-14-16;1-2/h5-6,10-11H,3-4,7-9H2,1-2H3;1-2H3
InChIKeyYOIFBJYSYCLYQZ-UHFFFAOYSA-N
XLogP2.20
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone?
The IUPAC name of ethane;1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone (CID 167456513) is ethane;1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone.
What is the SMILES notation for ethane;1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone?
The canonical SMILES for ethane;1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone is CC.CC(C)C1CCN(C(=O)Cn2nccn2)CC1.
What is the InChIKey of ethane;1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone?
The InChIKey is YOIFBJYSYCLYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.C2H6/c1-10(2)11-3-7-15(8-4-11)12(17)9-16-13-5-6-14-16;1-2/h5-6,10-11H,3-4,7-9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone?
ethane;1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone has a molecular weight of 266.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone is sourced from PubChem (CID 167456513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).