5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one

C18H30N4O2 — CID 91920103

IUPAC5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCC(C)n1c(C2CCN(C(=O)CC3CCCC3)CC2)nn(C)c1=O
InChIInChI=1S/C18H30N4O2/c1-13(2)22-17(19-20(3)18(22)24)15-8-10-21(11-9-15)16(23)12-14-6-4-5-7-14/h13-15H,4-12H2,1-3H3
InChIKeyFVAVTUAYIYDZGD-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.45
Rot. Bonds4

About 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one

5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one (PubChem CID 91920103) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
PubChem CID91920103
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCC(C)n1c(C2CCN(C(=O)CC3CCCC3)CC2)nn(C)c1=O
InChIInChI=1S/C18H30N4O2/c1-13(2)22-17(19-20(3)18(22)24)15-8-10-21(11-9-15)16(23)12-14-6-4-5-7-14/h13-15H,4-12H2,1-3H3
InChIKeyFVAVTUAYIYDZGD-UHFFFAOYSA-N
XLogP2.45
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
The IUPAC name of 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one (CID 91920103) is 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
The canonical SMILES for 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one is CC(C)n1c(C2CCN(C(=O)CC3CCCC3)CC2)nn(C)c1=O.
What is the InChIKey of 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
The InChIKey is FVAVTUAYIYDZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13(2)22-17(19-20(3)18(22)24)15-8-10-21(11-9-15)16(23)12-14-6-4-5-7-14/h13-15H,4-12H2,1-3H3.
What are the key properties of 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one has a molecular weight of 334.46 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 91920103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).