[1-(2-phenylethyl)triazol-4-yl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

C22H25N5O2 — CID 42533479

IUPAC[1-(2-phenylethyl)triazol-4-yl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cn(CCc2ccccc2)nn1)N1CCC(OCc2ccccn2)CC1
InChIInChI=1S/C22H25N5O2/c28-22(21-16-27(25-24-21)15-9-18-6-2-1-3-7-18)26-13-10-20(11-14-26)29-17-19-8-4-5-12-23-19/h1-8,12,16,20H,9-11,13-15,17H2
InChIKeyNDCHVVYDBWXTRM-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.74
Rot. Bonds7

About [1-(2-phenylethyl)triazol-4-yl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

[1-(2-phenylethyl)triazol-4-yl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 42533479) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [1-(2-phenylethyl)triazol-4-yl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-phenylethyl)triazol-4-yl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
PubChem CID42533479
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[1-(2-phenylethyl)triazol-4-yl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cn(CCc2ccccc2)nn1)N1CCC(OCc2ccccn2)CC1
InChIInChI=1S/C22H25N5O2/c28-22(21-16-27(25-24-21)15-9-18-6-2-1-3-7-18)26-13-10-20(11-14-26)29-17-19-8-4-5-12-23-19/h1-8,12,16,20H,9-11,13-15,17H2
InChIKeyNDCHVVYDBWXTRM-UHFFFAOYSA-N
XLogP2.74
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-phenylethyl)triazol-4-yl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of [1-(2-phenylethyl)triazol-4-yl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (CID 42533479) is [1-(2-phenylethyl)triazol-4-yl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-phenylethyl)triazol-4-yl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-phenylethyl)triazol-4-yl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is O=C(c1cn(CCc2ccccc2)nn1)N1CCC(OCc2ccccn2)CC1.
What is the InChIKey of [1-(2-phenylethyl)triazol-4-yl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is NDCHVVYDBWXTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-22(21-16-27(25-24-21)15-9-18-6-2-1-3-7-18)26-13-10-20(11-14-26)29-17-19-8-4-5-12-23-19/h1-8,12,16,20H,9-11,13-15,17H2.
What are the key properties of [1-(2-phenylethyl)triazol-4-yl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
[1-(2-phenylethyl)triazol-4-yl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 391.48 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenylethyl)triazol-4-yl]-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 42533479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).