[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

C19H20N6O — CID 37333010

IUPAC[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESCN1CCN(C(=O)c2cccc(-n3cnnn3)c2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H20N6O/c1-23-10-11-24(18(13-23)15-6-3-2-4-7-15)19(26)16-8-5-9-17(12-16)25-14-20-21-22-25/h2-9,12,14,18H,10-11,13H2,1H3/t18-/m1/s1
InChIKeyQIOBMXGUELAYMC-GOSISDBHSA-N
MW348.41 g/mol
LogP1.79
Rot. Bonds3

About [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 37333010) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID37333010
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESCN1CCN(C(=O)c2cccc(-n3cnnn3)c2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H20N6O/c1-23-10-11-24(18(13-23)15-6-3-2-4-7-15)19(26)16-8-5-9-17(12-16)25-14-20-21-22-25/h2-9,12,14,18H,10-11,13H2,1H3/t18-/m1/s1
InChIKeyQIOBMXGUELAYMC-GOSISDBHSA-N
XLogP1.79
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42891355
(2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 122331774
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
(7-phenyl-1,4-thiazepan-4-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 90629300
2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one
CID 134042687
(4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 51266707
(2,3-dimethylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 120572200
[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 166233275
[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 94017586
(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 25489891
(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 71873432

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (CID 37333010) is [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is CN1CCN(C(=O)c2cccc(-n3cnnn3)c2)[C@@H](c2ccccc2)C1.
What is the InChIKey of [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is QIOBMXGUELAYMC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N6O/c1-23-10-11-24(18(13-23)15-6-3-2-4-7-15)19(26)16-8-5-9-17(12-16)25-14-20-21-22-25/h2-9,12,14,18H,10-11,13H2,1H3/t18-/m1/s1.
What are the key properties of [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 348.41 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 37333010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).