1-(4-ethylpiperazin-1-yl)-3-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]propan-1-one

C18H30N6O2 — CID 25386352

IUPAC1-(4-ethylpiperazin-1-yl)-3-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]propan-1-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)Cn3cncn3)CC2)CC1
InChIInChI=1S/C18H30N6O2/c1-2-21-9-11-23(12-10-21)17(25)4-3-16-5-7-22(8-6-16)18(26)13-24-15-19-14-20-24/h14-16H,2-13H2,1H3
InChIKeyVJFBDZLJJIEXSQ-UHFFFAOYSA-N
MW362.48 g/mol
LogP0.46
Rot. Bonds6

About 1-(4-ethylpiperazin-1-yl)-3-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]propan-1-one

1-(4-ethylpiperazin-1-yl)-3-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]propan-1-one (PubChem CID 25386352) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]propan-1-one
PubChem CID25386352
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]propan-1-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)Cn3cncn3)CC2)CC1
InChIInChI=1S/C18H30N6O2/c1-2-21-9-11-23(12-10-21)17(25)4-3-16-5-7-22(8-6-16)18(26)13-24-15-19-14-20-24/h14-16H,2-13H2,1H3
InChIKeyVJFBDZLJJIEXSQ-UHFFFAOYSA-N
XLogP0.46
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]propan-1-one (CID 25386352) is 1-(4-ethylpiperazin-1-yl)-3-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]propan-1-one is CCN1CCN(C(=O)CCC2CCN(C(=O)Cn3cncn3)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]propan-1-one?
The InChIKey is VJFBDZLJJIEXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-2-21-9-11-23(12-10-21)17(25)4-3-16-5-7-22(8-6-16)18(26)13-24-15-19-14-20-24/h14-16H,2-13H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]propan-1-one?
1-(4-ethylpiperazin-1-yl)-3-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]propan-1-one has a molecular weight of 362.48 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-4-yl]propan-1-one is sourced from PubChem (CID 25386352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).