[1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C21H29N5O2 — CID 24818854

IUPAC[1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cn(CC4CCCCC4)nn3)CC2)cc1
InChIInChI=1S/C21H29N5O2/c1-28-19-9-7-18(8-10-19)24-11-13-25(14-12-24)21(27)20-16-26(23-22-20)15-17-5-3-2-4-6-17/h7-10,16-17H,2-6,11-15H2,1H3
InChIKeyALXGBLDEUHGLOY-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.83
Rot. Bonds5

About [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

[1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 24818854) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID24818854
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name[1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cn(CC4CCCCC4)nn3)CC2)cc1
InChIInChI=1S/C21H29N5O2/c1-28-19-9-7-18(8-10-19)24-11-13-25(14-12-24)21(27)20-16-26(23-22-20)15-17-5-3-2-4-6-17/h7-10,16-17H,2-6,11-15H2,1H3
InChIKeyALXGBLDEUHGLOY-UHFFFAOYSA-N
XLogP2.83
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 24818854) is [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3cn(CC4CCCCC4)nn3)CC2)cc1.
What is the InChIKey of [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is ALXGBLDEUHGLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-28-19-9-7-18(8-10-19)24-11-13-25(14-12-24)21(27)20-16-26(23-22-20)15-17-5-3-2-4-6-17/h7-10,16-17H,2-6,11-15H2,1H3.
What are the key properties of [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
[1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 383.50 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24818854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).