benzotriazol-1-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone

C22H21N5O — CID 71455023

IUPACbenzotriazol-1-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(Cc2cccc3ccccc23)CC1)n1nnc2ccccc21
InChIInChI=1S/C22H21N5O/c28-22(27-21-11-4-3-10-20(21)23-24-27)26-14-12-25(13-15-26)16-18-8-5-7-17-6-1-2-9-19(17)18/h1-11H,12-16H2
InChIKeyJDGNPEWTICUFAZ-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.37
Rot. Bonds2

About benzotriazol-1-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone

benzotriazol-1-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone (PubChem CID 71455023) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is benzotriazol-1-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
PubChem CID71455023
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Namebenzotriazol-1-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(Cc2cccc3ccccc23)CC1)n1nnc2ccccc21
InChIInChI=1S/C22H21N5O/c28-22(27-21-11-4-3-10-20(21)23-24-27)26-14-12-25(13-15-26)16-18-8-5-7-17-6-1-2-9-19(17)18/h1-11H,12-16H2
InChIKeyJDGNPEWTICUFAZ-UHFFFAOYSA-N
XLogP3.37
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.37
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-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of benzotriazol-1-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone (CID 71455023) is benzotriazol-1-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for benzotriazol-1-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for benzotriazol-1-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone is O=C(N1CCN(Cc2cccc3ccccc23)CC1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is JDGNPEWTICUFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c28-22(27-21-11-4-3-10-20(21)23-24-27)26-14-12-25(13-15-26)16-18-8-5-7-17-6-1-2-9-19(17)18/h1-11H,12-16H2.
What are the key properties of benzotriazol-1-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone?
benzotriazol-1-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 371.44 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71455023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).