2-cyclopropyl-1-[3-(2H-triazol-4-yl)piperidin-1-yl]propan-1-one

C13H20N4O — CID 136572551

IUPAC2-cyclopropyl-1-[3-(2H-triazol-4-yl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC(c2cn[nH]n2)C1)C1CC1
InChIInChI=1S/C13H20N4O/c1-9(10-4-5-10)13(18)17-6-2-3-11(8-17)12-7-14-16-15-12/h7,9-11H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyJJAAODAESSDFAM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.56
Rot. Bonds3

About 2-cyclopropyl-1-[3-(2H-triazol-4-yl)piperidin-1-yl]propan-1-one

2-cyclopropyl-1-[3-(2H-triazol-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 136572551) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-(2H-triazol-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-(2H-triazol-4-yl)piperidin-1-yl]propan-1-one
PubChem CID136572551
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-cyclopropyl-1-[3-(2H-triazol-4-yl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC(c2cn[nH]n2)C1)C1CC1
InChIInChI=1S/C13H20N4O/c1-9(10-4-5-10)13(18)17-6-2-3-11(8-17)12-7-14-16-15-12/h7,9-11H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyJJAAODAESSDFAM-UHFFFAOYSA-N
XLogP1.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-(2H-triazol-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-cyclopropyl-1-[3-(2H-triazol-4-yl)piperidin-1-yl]propan-1-one (CID 136572551) is 2-cyclopropyl-1-[3-(2H-triazol-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-[3-(2H-triazol-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-[3-(2H-triazol-4-yl)piperidin-1-yl]propan-1-one is CC(C(=O)N1CCCC(c2cn[nH]n2)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-[3-(2H-triazol-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is JJAAODAESSDFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(10-4-5-10)13(18)17-6-2-3-11(8-17)12-7-14-16-15-12/h7,9-11H,2-6,8H2,1H3,(H,14,15,16).
What are the key properties of 2-cyclopropyl-1-[3-(2H-triazol-4-yl)piperidin-1-yl]propan-1-one?
2-cyclopropyl-1-[3-(2H-triazol-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-(2H-triazol-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 136572551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).