benzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone

C24H23N5O — CID 71455022

IUPACbenzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(Cc2cccc(-c3ccccc3)c2)CC1)n1nnc2ccccc21
InChIInChI=1S/C24H23N5O/c30-24(29-23-12-5-4-11-22(23)25-26-29)28-15-13-27(14-16-28)18-19-7-6-10-21(17-19)20-8-2-1-3-9-20/h1-12,17H,13-16,18H2
InChIKeyUGSNUFMXTDVKNG-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.88
Rot. Bonds3

About benzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone

benzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 71455022) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is benzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID71455022
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Namebenzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(Cc2cccc(-c3ccccc3)c2)CC1)n1nnc2ccccc21
InChIInChI=1S/C24H23N5O/c30-24(29-23-12-5-4-11-22(23)25-26-29)28-15-13-27(14-16-28)18-19-7-6-10-21(17-19)20-8-2-1-3-9-20/h1-12,17H,13-16,18H2
InChIKeyUGSNUFMXTDVKNG-UHFFFAOYSA-N
XLogP3.88
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of benzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone (CID 71455022) is benzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for benzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for benzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone is O=C(N1CCN(Cc2cccc(-c3ccccc3)c2)CC1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is UGSNUFMXTDVKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-24(29-23-12-5-4-11-22(23)25-26-29)28-15-13-27(14-16-28)18-19-7-6-10-21(17-19)20-8-2-1-3-9-20/h1-12,17H,13-16,18H2.
What are the key properties of benzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone?
benzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 71455022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).