[1-(oxolan-2-ylmethyl)triazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

C20H27N5O3 — CID 45215826

IUPAC[1-(oxolan-2-ylmethyl)triazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cn(CC2CCCO2)nn1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C20H27N5O3/c26-20(19-16-25(22-21-19)15-18-7-4-13-27-18)24-10-8-23(9-11-24)12-14-28-17-5-2-1-3-6-17/h1-3,5-6,16,18H,4,7-15H2
InChIKeyVHHCUBZYPKNPAM-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.29
Rot. Bonds7

About [1-(oxolan-2-ylmethyl)triazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

[1-(oxolan-2-ylmethyl)triazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (PubChem CID 45215826) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is [1-(oxolan-2-ylmethyl)triazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(oxolan-2-ylmethyl)triazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
PubChem CID45215826
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name[1-(oxolan-2-ylmethyl)triazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cn(CC2CCCO2)nn1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C20H27N5O3/c26-20(19-16-25(22-21-19)15-18-7-4-13-27-18)24-10-8-23(9-11-24)12-14-28-17-5-2-1-3-6-17/h1-3,5-6,16,18H,4,7-15H2
InChIKeyVHHCUBZYPKNPAM-UHFFFAOYSA-N
XLogP1.29
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-[1-[[(2R)-oxolan-2-yl]methyl]triazol-4-yl]methanone
CID 42099259
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-[[(2R)-oxolan-2-yl]methyl]triazol-4-yl]methanone
CID 26326410
[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9209032
[4-(2-phenoxyethyl)piperazin-1-yl]-pyridazin-3-ylmethanone
CID 70707188
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide
CID 42288627
(6-chloro-2-pyridinyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 62232904
(2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 72886454
[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55368510
1-[2-(3-ethoxyphenoxy)ethyl]-4-(oxolan-2-ylmethyl)piperazine
CID 50956772
3-[2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethoxy]benzonitrile
CID 95285974
[4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)triazol-4-yl]methanone
CID 166216496

Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-2-ylmethyl)triazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(oxolan-2-ylmethyl)triazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (CID 45215826) is [1-(oxolan-2-ylmethyl)triazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(oxolan-2-ylmethyl)triazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(oxolan-2-ylmethyl)triazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is O=C(c1cn(CC2CCCO2)nn1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of [1-(oxolan-2-ylmethyl)triazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The InChIKey is VHHCUBZYPKNPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c26-20(19-16-25(22-21-19)15-18-7-4-13-27-18)24-10-8-23(9-11-24)12-14-28-17-5-2-1-3-6-17/h1-3,5-6,16,18H,4,7-15H2.
What are the key properties of [1-(oxolan-2-ylmethyl)triazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
[1-(oxolan-2-ylmethyl)triazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone has a molecular weight of 385.47 g/mol, XLogP of 1.29, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-2-ylmethyl)triazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 45215826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).