2-[5-[1-(oxan-4-yl)piperidin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide

C22H31N5O2 — CID 157014047

IUPAC2-[5-[1-(oxan-4-yl)piperidin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(C2CCCN(C3CCOCC3)C2)n(CCc2ccccc2)n1
InChIInChI=1S/C22H31N5O2/c23-20(28)15-21-24-22(27(25-21)12-8-17-5-2-1-3-6-17)18-7-4-11-26(16-18)19-9-13-29-14-10-19/h1-3,5-6,18-19H,4,7-16H2,(H2,23,28)
InChIKeyGEBBGWXZFXYHBO-UHFFFAOYSA-N
MW397.52 g/mol
LogP1.91
Rot. Bonds7

About 2-[5-[1-(oxan-4-yl)piperidin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide

2-[5-[1-(oxan-4-yl)piperidin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 157014047) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[5-[1-(oxan-4-yl)piperidin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-[1-(oxan-4-yl)piperidin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID157014047
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name2-[5-[1-(oxan-4-yl)piperidin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(C2CCCN(C3CCOCC3)C2)n(CCc2ccccc2)n1
InChIInChI=1S/C22H31N5O2/c23-20(28)15-21-24-22(27(25-21)12-8-17-5-2-1-3-6-17)18-7-4-11-26(16-18)19-9-13-29-14-10-19/h1-3,5-6,18-19H,4,7-16H2,(H2,23,28)
InChIKeyGEBBGWXZFXYHBO-UHFFFAOYSA-N
XLogP1.91
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[1-(oxan-4-yl)piperidin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide with MolForge

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Related Compounds

2-[3-[(2-methoxyphenyl)methyl]-5-[1-(oxan-4-yl)piperidin-3-yl]-1,2,4-triazol-1-yl]ethanol
CID 164692775
formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 155937887
2-[5-[(3R)-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide
CID 97436257
1-(oxan-4-yl)-4-(2-phenylethyl)-1,4-diazepane-6-carboxamide
CID 127245419
3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine;formic acid
CID 171317322
2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45188465
N-(2-amino-2-oxoethyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56868255
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 56752149
1-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-phenylethanone
CID 126440982
2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine
CID 95841777
(4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95554424
(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol
CID 7047301

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(oxan-4-yl)piperidin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-[1-(oxan-4-yl)piperidin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide (CID 157014047) is 2-[5-[1-(oxan-4-yl)piperidin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-[1-(oxan-4-yl)piperidin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-[1-(oxan-4-yl)piperidin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide is NC(=O)Cc1nc(C2CCCN(C3CCOCC3)C2)n(CCc2ccccc2)n1.
What is the InChIKey of 2-[5-[1-(oxan-4-yl)piperidin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is GEBBGWXZFXYHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c23-20(28)15-21-24-22(27(25-21)12-8-17-5-2-1-3-6-17)18-7-4-11-26(16-18)19-9-13-29-14-10-19/h1-3,5-6,18-19H,4,7-16H2,(H2,23,28).
What are the key properties of 2-[5-[1-(oxan-4-yl)piperidin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide?
2-[5-[1-(oxan-4-yl)piperidin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(oxan-4-yl)piperidin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 157014047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).