(4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone

C20H21N5O — CID 51266707

IUPAC(4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone
SMILESCN1CCN(C(=O)c2cnn(-c3ccccc3)n2)C(c2ccccc2)C1
InChIInChI=1S/C20H21N5O/c1-23-12-13-24(19(15-23)16-8-4-2-5-9-16)20(26)18-14-21-25(22-18)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3
InChIKeyRZLNCMYWSSIGKX-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.40
Rot. Bonds3

About (4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone

(4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone (PubChem CID 51266707) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone
PubChem CID51266707
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone
SMILESCN1CCN(C(=O)c2cnn(-c3ccccc3)n2)C(c2ccccc2)C1
InChIInChI=1S/C20H21N5O/c1-23-12-13-24(19(15-23)16-8-4-2-5-9-16)20(26)18-14-21-25(22-18)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3
InChIKeyRZLNCMYWSSIGKX-UHFFFAOYSA-N
XLogP2.40
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-pyrazin-2-ylmethanone
CID 51251944
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 34229533
(4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72938463
(3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 55178970
1-[4-(1-methylpyrazole-3-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 110097808
[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 37333010
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 51314771
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
[(3R)-3-aminopyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 119412778
(1S,4S)-5-(2-phenyltriazole-4-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 95985271

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of (4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone (CID 51266707) is (4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for (4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for (4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone is CN1CCN(C(=O)c2cnn(-c3ccccc3)n2)C(c2ccccc2)C1.
What is the InChIKey of (4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone?
The InChIKey is RZLNCMYWSSIGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-23-12-13-24(19(15-23)16-8-4-2-5-9-16)20(26)18-14-21-25(22-18)17-10-6-3-7-11-17/h2-11,14,19H,12-13,15H2,1H3.
What are the key properties of (4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone?
(4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 51266707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).