2-(benzotriazol-1-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone

C19H21N5O — CID 51266720

IUPAC2-(benzotriazol-1-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cn2nnc3ccccc32)C(c2ccccc2)C1
InChIInChI=1S/C19H21N5O/c1-22-11-12-23(18(13-22)15-7-3-2-4-8-15)19(25)14-24-17-10-6-5-9-16(17)20-21-24/h2-10,18H,11-14H2,1H3
InChIKeyWAJSGHFUOKGBCB-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.95
Rot. Bonds3

About 2-(benzotriazol-1-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone

2-(benzotriazol-1-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone (PubChem CID 51266720) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
PubChem CID51266720
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-(benzotriazol-1-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cn2nnc3ccccc32)C(c2ccccc2)C1
InChIInChI=1S/C19H21N5O/c1-22-11-12-23(18(13-22)15-7-3-2-4-8-15)19(25)14-24-17-10-6-5-9-16(17)20-21-24/h2-10,18H,11-14H2,1H3
InChIKeyWAJSGHFUOKGBCB-UHFFFAOYSA-N
XLogP1.95
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 46458637
2-(benzotriazol-1-yl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 863050
2-(benzotriazol-1-yl)-1-(4-methyl-3-phenylpiperidin-1-yl)ethanone
CID 166349781
2-(benzotriazol-1-yl)-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569415
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone
CID 37334061
3-indol-1-yl-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 71899042
2-(benzotriazol-1-yl)-1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 99865867
2-(benzotriazol-1-yl)-1-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]ethanone
CID 155949528
1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 51926961
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(benzotriazol-1-yl)ethanone
CID 154795469
2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 166227750
2-(benzotriazol-1-yl)-1-[(2S)-2-benzylpyrrolidin-1-yl]ethanone
CID 94614680

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone (CID 51266720) is 2-(benzotriazol-1-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone is CN1CCN(C(=O)Cn2nnc3ccccc32)C(c2ccccc2)C1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone?
The InChIKey is WAJSGHFUOKGBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-22-11-12-23(18(13-22)15-7-3-2-4-8-15)19(25)14-24-17-10-6-5-9-16(17)20-21-24/h2-10,18H,11-14H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone?
2-(benzotriazol-1-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone has a molecular weight of 335.41 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 51266720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).