(4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone

C19H20N6O — CID 72863235

IUPAC(4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccccc2-c2nn[nH]n2)C(c2ccccc2)C1
InChIInChI=1S/C19H20N6O/c1-24-11-12-25(17(13-24)14-7-3-2-4-8-14)19(26)16-10-6-5-9-15(16)18-20-22-23-21-18/h2-10,17H,11-13H2,1H3,(H,20,21,22,23)
InChIKeyYOVNCDARBABNKU-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.00
Rot. Bonds3

About (4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone

(4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone (PubChem CID 72863235) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
PubChem CID72863235
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccccc2-c2nn[nH]n2)C(c2ccccc2)C1
InChIInChI=1S/C19H20N6O/c1-24-11-12-25(17(13-24)14-7-3-2-4-8-14)19(26)16-10-6-5-9-15(16)18-20-22-23-21-18/h2-10,17H,11-13H2,1H3,(H,20,21,22,23)
InChIKeyYOVNCDARBABNKU-UHFFFAOYSA-N
XLogP2.00
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
1-(4-methyl-2-phenylpiperazin-1-yl)-2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethanone
CID 166313524
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
(2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 55452857
(2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 167526074
(4-methyl-2-phenylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 72920798
6-methyl-3-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 95976202
3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one
CID 56716843
3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
CID 92635252
2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one
CID 134042687
4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-2H-phthalazin-1-one
CID 37332382

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The IUPAC name of (4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone (CID 72863235) is (4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone.
What is the SMILES notation for (4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The canonical SMILES for (4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone is CN1CCN(C(=O)c2ccccc2-c2nn[nH]n2)C(c2ccccc2)C1.
What is the InChIKey of (4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The InChIKey is YOVNCDARBABNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-24-11-12-25(17(13-24)14-7-3-2-4-8-14)19(26)16-10-6-5-9-15(16)18-20-22-23-21-18/h2-10,17H,11-13H2,1H3,(H,20,21,22,23).
What are the key properties of (4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone?
(4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone has a molecular weight of 348.41 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 72863235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).