1-(4-methyl-2-phenylpiperazin-1-yl)-2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethanone

C19H21N7O — CID 166313524

IUPAC1-(4-methyl-2-phenylpiperazin-1-yl)-2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethanone
SMILESCN1CCN(C(=O)Cc2ccc(-c3nn[nH]n3)nc2)C(c2ccccc2)C1
InChIInChI=1S/C19H21N7O/c1-25-9-10-26(17(13-25)15-5-3-2-4-6-15)18(27)11-14-7-8-16(20-12-14)19-21-23-24-22-19/h2-8,12,17H,9-11,13H2,1H3,(H,21,22,23,24)
InChIKeyMNJLGSXYYVCABT-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.32
Rot. Bonds4

About 1-(4-methyl-2-phenylpiperazin-1-yl)-2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethanone

1-(4-methyl-2-phenylpiperazin-1-yl)-2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethanone (PubChem CID 166313524) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-(4-methyl-2-phenylpiperazin-1-yl)-2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(4-methyl-2-phenylpiperazin-1-yl)-2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethanone
PubChem CID166313524
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name1-(4-methyl-2-phenylpiperazin-1-yl)-2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethanone
SMILESCN1CCN(C(=O)Cc2ccc(-c3nn[nH]n3)nc2)C(c2ccccc2)C1
InChIInChI=1S/C19H21N7O/c1-25-9-10-26(17(13-25)15-5-3-2-4-6-15)18(27)11-14-7-8-16(20-12-14)19-21-23-24-22-19/h2-8,12,17H,9-11,13H2,1H3,(H,21,22,23,24)
InChIKeyMNJLGSXYYVCABT-UHFFFAOYSA-N
XLogP1.32
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-methyl-2-phenylpiperazin-1-yl)-2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethanone with MolForge

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 72863235
2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone
CID 38169510
1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 51926961
N-[(2R)-4-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 124816393
1-[4-methyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-phenylethanone
CID 155796231
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
2,4-dimethyl-5-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136870617
3-amino-2-methoxy-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 106110999
5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one
CID 82846107
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 94599269
[4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea
CID 37333541
2-(benzotriazol-1-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
CID 51266720

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-phenylpiperazin-1-yl)-2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-(4-methyl-2-phenylpiperazin-1-yl)-2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethanone (CID 166313524) is 1-(4-methyl-2-phenylpiperazin-1-yl)-2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-(4-methyl-2-phenylpiperazin-1-yl)-2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-(4-methyl-2-phenylpiperazin-1-yl)-2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethanone is CN1CCN(C(=O)Cc2ccc(-c3nn[nH]n3)nc2)C(c2ccccc2)C1.
What is the InChIKey of 1-(4-methyl-2-phenylpiperazin-1-yl)-2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethanone?
The InChIKey is MNJLGSXYYVCABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-25-9-10-26(17(13-25)15-5-3-2-4-6-15)18(27)11-14-7-8-16(20-12-14)19-21-23-24-22-19/h2-8,12,17H,9-11,13H2,1H3,(H,21,22,23,24).
What are the key properties of 1-(4-methyl-2-phenylpiperazin-1-yl)-2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethanone?
1-(4-methyl-2-phenylpiperazin-1-yl)-2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethanone has a molecular weight of 363.43 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-phenylpiperazin-1-yl)-2-[6-(2H-tetrazol-5-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 166313524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).