[1-(oxan-4-yl)piperidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

C19H32N6O2 — CID 119059586

IUPAC[1-(oxan-4-yl)piperidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(C1CCN(C2CCOCC2)CC1)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C19H32N6O2/c26-19(17-1-5-23(6-2-17)18-3-13-27-14-4-18)24-10-7-22(8-11-24)9-12-25-16-20-15-21-25/h15-18H,1-14H2
InChIKeyNNDNCOVQWBXWJA-UHFFFAOYSA-N
MW376.51 g/mol
LogP0.31
Rot. Bonds5

About [1-(oxan-4-yl)piperidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

[1-(oxan-4-yl)piperidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 119059586) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is [1-(oxan-4-yl)piperidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(oxan-4-yl)piperidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID119059586
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name[1-(oxan-4-yl)piperidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(C1CCN(C2CCOCC2)CC1)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C19H32N6O2/c26-19(17-1-5-23(6-2-17)18-3-13-27-14-4-18)24-10-7-22(8-11-24)9-12-25-16-20-15-21-25/h15-18H,1-14H2
InChIKeyNNDNCOVQWBXWJA-UHFFFAOYSA-N
XLogP0.31
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(oxan-4-yl)piperidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(oxan-4-yl)piperidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of [1-(oxan-4-yl)piperidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 119059586) is [1-(oxan-4-yl)piperidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(oxan-4-yl)piperidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(oxan-4-yl)piperidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is O=C(C1CCN(C2CCOCC2)CC1)N1CCN(CCn2cncn2)CC1.
What is the InChIKey of [1-(oxan-4-yl)piperidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is NNDNCOVQWBXWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2/c26-19(17-1-5-23(6-2-17)18-3-13-27-14-4-18)24-10-7-22(8-11-24)9-12-25-16-20-15-21-25/h15-18H,1-14H2.
What are the key properties of [1-(oxan-4-yl)piperidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
[1-(oxan-4-yl)piperidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 376.51 g/mol, XLogP of 0.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-yl)piperidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 119059586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).