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

C18H32N4O — CID 56711131

IUPAC5-[1-(3-cyclopentylpropyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(CCCC3CCCC3)CC2)nn(C)c1=O
InChIInChI=1S/C18H32N4O/c1-3-22-17(19-20(2)18(22)23)16-10-13-21(14-11-16)12-6-9-15-7-4-5-8-15/h15-16H,3-14H2,1-2H3
InChIKeyUHADFNAZXNUJPF-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.75
Rot. Bonds6

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

5-[1-(3-cyclopentylpropyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one (PubChem CID 56711131) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 5-[1-(3-cyclopentylpropyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-[1-(3-cyclopentylpropyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
PubChem CID56711131
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name5-[1-(3-cyclopentylpropyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(CCCC3CCCC3)CC2)nn(C)c1=O
InChIInChI=1S/C18H32N4O/c1-3-22-17(19-20(2)18(22)23)16-10-13-21(14-11-16)12-6-9-15-7-4-5-8-15/h15-16H,3-14H2,1-2H3
InChIKeyUHADFNAZXNUJPF-UHFFFAOYSA-N
XLogP2.75
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-cyclopentylpropyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 5-[1-(3-cyclopentylpropyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one (CID 56711131) is 5-[1-(3-cyclopentylpropyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-[1-(3-cyclopentylpropyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-[1-(3-cyclopentylpropyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one is CCn1c(C2CCN(CCCC3CCCC3)CC2)nn(C)c1=O.
What is the InChIKey of 5-[1-(3-cyclopentylpropyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one?
The InChIKey is UHADFNAZXNUJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-3-22-17(19-20(2)18(22)23)16-10-13-21(14-11-16)12-6-9-15-7-4-5-8-15/h15-16H,3-14H2,1-2H3.
What are the key properties of 5-[1-(3-cyclopentylpropyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one?
5-[1-(3-cyclopentylpropyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one has a molecular weight of 320.48 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-cyclopentylpropyl)piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 56711131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).