2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)propan-1-one

C20H23N5O2 — CID 4538719

IUPAC2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)propan-1-one
SMILESCC(On1nnc2ccccc21)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N5O2/c1-16(27-25-19-10-6-5-9-18(19)21-22-25)20(26)24-13-11-23(12-14-24)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3
InChIKeySKHXWMRNYUPFGV-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.59
Rot. Bonds5

About 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)propan-1-one

2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)propan-1-one (PubChem CID 4538719) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)propan-1-one
PubChem CID4538719
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)propan-1-one
SMILESCC(On1nnc2ccccc21)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N5O2/c1-16(27-25-19-10-6-5-9-18(19)21-22-25)20(26)24-13-11-23(12-14-24)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3
InChIKeySKHXWMRNYUPFGV-UHFFFAOYSA-N
XLogP1.59
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)propan-1-one (CID 4538719) is 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)propan-1-one is CC(On1nnc2ccccc21)C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)propan-1-one?
The InChIKey is SKHXWMRNYUPFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-16(27-25-19-10-6-5-9-18(19)21-22-25)20(26)24-13-11-23(12-14-24)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3.
What are the key properties of 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)propan-1-one?
2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)propan-1-one has a molecular weight of 365.44 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yloxy)-1-(4-benzylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 4538719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).