(4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone

C24H28N4O2 — CID 25373504

IUPAC(4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone
SMILESO=C(c1cn(CCCc2ccccc2)nn1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C24H28N4O2/c29-24(23-18-28(26-25-23)15-7-12-20-8-3-1-4-9-20)27-16-13-22(14-17-27)30-19-21-10-5-2-6-11-21/h1-6,8-11,18,22H,7,12-17,19H2
InChIKeyCQQLZTALNGVPJL-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.73
Rot. Bonds8

About (4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone

(4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone (PubChem CID 25373504) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name(4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone
PubChem CID25373504
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name(4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone
SMILESO=C(c1cn(CCCc2ccccc2)nn1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C24H28N4O2/c29-24(23-18-28(26-25-23)15-7-12-20-8-3-1-4-9-20)27-16-13-22(14-17-27)30-19-21-10-5-2-6-11-21/h1-6,8-11,18,22H,7,12-17,19H2
InChIKeyCQQLZTALNGVPJL-UHFFFAOYSA-N
XLogP3.73
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42112383
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 25374522
[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42454113
[1-(3-phenylpropyl)triazol-4-yl]-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 45237482
[(3R)-1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 26393027
(4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 70762006
(3-cyclohexylpyrrolidin-1-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45218231
[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42239902
(1-benzyltriazol-4-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone
CID 95627873
(4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone
CID 42415249
(3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 70752342
[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45176076

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone?
The IUPAC name of (4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone (CID 25373504) is (4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone.
What is the SMILES notation for (4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone?
The canonical SMILES for (4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone is O=C(c1cn(CCCc2ccccc2)nn1)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of (4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone?
The InChIKey is CQQLZTALNGVPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-24(23-18-28(26-25-23)15-7-12-20-8-3-1-4-9-20)27-16-13-22(14-17-27)30-19-21-10-5-2-6-11-21/h1-6,8-11,18,22H,7,12-17,19H2.
What are the key properties of (4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone?
(4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone has a molecular weight of 404.51 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone is sourced from PubChem (CID 25373504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).