[1-(2-methoxyethyl)piperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone

C15H26N6O2 — CID 119075114

IUPAC[1-(2-methoxyethyl)piperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
SMILESCOCCN1CCCC(C(=O)N2CCN(c3ncn[nH]3)CC2)C1
InChIInChI=1S/C15H26N6O2/c1-23-10-9-19-4-2-3-13(11-19)14(22)20-5-7-21(8-6-20)15-16-12-17-18-15/h12-13H,2-11H2,1H3,(H,16,17,18)
InChIKeyIQUAXFQBFXOCPL-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.19
Rot. Bonds5

About [1-(2-methoxyethyl)piperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone

[1-(2-methoxyethyl)piperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone (PubChem CID 119075114) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is [1-(2-methoxyethyl)piperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-methoxyethyl)piperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
PubChem CID119075114
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name[1-(2-methoxyethyl)piperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
SMILESCOCCN1CCCC(C(=O)N2CCN(c3ncn[nH]3)CC2)C1
InChIInChI=1S/C15H26N6O2/c1-23-10-9-19-4-2-3-13(11-19)14(22)20-5-7-21(8-6-20)15-16-12-17-18-15/h12-13H,2-11H2,1H3,(H,16,17,18)
InChIKeyIQUAXFQBFXOCPL-UHFFFAOYSA-N
XLogP-0.19
TPSA77.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)piperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-(2-methoxyethyl)piperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone (CID 119075114) is [1-(2-methoxyethyl)piperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(2-methoxyethyl)piperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(2-methoxyethyl)piperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone is COCCN1CCCC(C(=O)N2CCN(c3ncn[nH]3)CC2)C1.
What is the InChIKey of [1-(2-methoxyethyl)piperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is IQUAXFQBFXOCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-23-10-9-19-4-2-3-13(11-19)14(22)20-5-7-21(8-6-20)15-16-12-17-18-15/h12-13H,2-11H2,1H3,(H,16,17,18).
What are the key properties of [1-(2-methoxyethyl)piperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone?
[1-(2-methoxyethyl)piperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 322.41 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)piperidin-3-yl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 119075114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).