(4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone

C23H25N5O3 — CID 42415249

IUPAC(4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cn(CCc4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C23H25N5O3/c1-31-20-9-7-19(8-10-20)22(29)26-13-15-27(16-14-26)23(30)21-17-28(25-24-21)12-11-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3
InChIKeyZPXQYWBBYWMQQW-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.13
Rot. Bonds6

About (4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone

(4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone (PubChem CID 42415249) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone
PubChem CID42415249
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name(4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3cn(CCc4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C23H25N5O3/c1-31-20-9-7-19(8-10-20)22(29)26-13-15-27(16-14-26)23(30)21-17-28(25-24-21)12-11-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3
InChIKeyZPXQYWBBYWMQQW-UHFFFAOYSA-N
XLogP2.13
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 57403942
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 167802192
[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45176076
2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone
CID 73347920
(3-cyclohexylpyrrolidin-1-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45218231
(4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 25373504
(4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 118666758
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
1-[4-(1-benzyltriazole-4-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021758

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone (CID 42415249) is (4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(C(=O)c3cn(CCc4ccccc4)nn3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone?
The InChIKey is ZPXQYWBBYWMQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-31-20-9-7-19(8-10-20)22(29)26-13-15-27(16-14-26)23(30)21-17-28(25-24-21)12-11-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3.
What are the key properties of (4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone has a molecular weight of 419.49 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 42415249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).