[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone

C20H21N5O2 — CID 120734009

IUPAC[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H21N5O2/c1-27-19-5-3-2-4-17(19)18-12-21-10-11-24(18)20(26)15-6-8-16(9-7-15)25-14-22-13-23-25/h2-9,13-14,18,21H,10-12H2,1H3
InChIKeyLCSAHOWHIRGHNI-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.06
Rot. Bonds4

About [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone

[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone (PubChem CID 120734009) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
PubChem CID120734009
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H21N5O2/c1-27-19-5-3-2-4-17(19)18-12-21-10-11-24(18)20(26)15-6-8-16(9-7-15)25-14-22-13-23-25/h2-9,13-14,18,21H,10-12H2,1H3
InChIKeyLCSAHOWHIRGHNI-UHFFFAOYSA-N
XLogP2.06
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone with MolForge

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Related Compounds

[2-(2-methoxyphenyl)piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 120733399
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 120734460
N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120733486
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780
[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 120733655
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 120734013
[2-(4-fluorophenyl)triazol-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734530
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733355
[4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733542
[2-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 120733890

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
The IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone (CID 120734009) is [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone.
What is the SMILES notation for [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
The canonical SMILES for [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone is COc1ccccc1C1CNCCN1C(=O)c1ccc(-n2cncn2)cc1.
What is the InChIKey of [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
The InChIKey is LCSAHOWHIRGHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-27-19-5-3-2-4-17(19)18-12-21-10-11-24(18)20(26)15-6-8-16(9-7-15)25-14-22-13-23-25/h2-9,13-14,18,21H,10-12H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone?
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone has a molecular weight of 363.42 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 120734009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).