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

C12H20N4O — CID 167456514

IUPAC1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone
SMILESCC(C)C1CCN(C(=O)Cn2nccn2)CC1
InChIInChI=1S/C12H20N4O/c1-10(2)11-3-7-15(8-4-11)12(17)9-16-13-5-6-14-16/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyRUMOVXZLVREEQI-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.17
Rot. Bonds3

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

1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone (PubChem CID 167456514) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone
PubChem CID167456514
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone
SMILESCC(C)C1CCN(C(=O)Cn2nccn2)CC1
InChIInChI=1S/C12H20N4O/c1-10(2)11-3-7-15(8-4-11)12(17)9-16-13-5-6-14-16/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyRUMOVXZLVREEQI-UHFFFAOYSA-N
XLogP1.17
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone?
The IUPAC name of 1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone (CID 167456514) is 1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone?
The canonical SMILES for 1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone is CC(C)C1CCN(C(=O)Cn2nccn2)CC1.
What is the InChIKey of 1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone?
The InChIKey is RUMOVXZLVREEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(2)11-3-7-15(8-4-11)12(17)9-16-13-5-6-14-16/h5-6,10-11H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone?
1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone has a molecular weight of 236.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylpiperidin-1-yl)-2-(triazol-2-yl)ethanone is sourced from PubChem (CID 167456514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).