2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide

C17H23N5O2 — CID 154743994

IUPAC2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCc1nc(NC(=O)CC2(O)CCCN(Cc3ccccc3)C2)n[nH]1
InChIInChI=1S/C17H23N5O2/c1-13-18-16(21-20-13)19-15(23)10-17(24)8-5-9-22(12-17)11-14-6-3-2-4-7-14/h2-4,6-7,24H,5,8-12H2,1H3,(H2,18,19,20,21,23)
InChIKeyHDWSNJGPQISFTQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.47
Rot. Bonds5

About 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide

2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 154743994) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID154743994
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCc1nc(NC(=O)CC2(O)CCCN(Cc3ccccc3)C2)n[nH]1
InChIInChI=1S/C17H23N5O2/c1-13-18-16(21-20-13)19-15(23)10-17(24)8-5-9-22(12-17)11-14-6-3-2-4-7-14/h2-4,6-7,24H,5,8-12H2,1H3,(H2,18,19,20,21,23)
InChIKeyHDWSNJGPQISFTQ-UHFFFAOYSA-N
XLogP1.47
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide
CID 126815363
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-oxo-3-phenylpropanamide
CID 110473163
1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea
CID 146134068
2-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzoic acid
CID 113431532
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689
1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol
CID 104735832
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-phenylacetamide
CID 115873944
1-benzyl-3-hydroxypiperidine-3-carboxylic acid;methane;methyl 1-benzyl-3-hydroxypiperidine-3-carboxylate
CID 158643685
4-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 138038007
ethyl 2-(1-benzyl-3-hydroxypiperidin-3-yl)-2-fluoroacetate
CID 79369064
2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide
CID 105352110

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide (CID 154743994) is 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide is Cc1nc(NC(=O)CC2(O)CCCN(Cc3ccccc3)C2)n[nH]1.
What is the InChIKey of 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is HDWSNJGPQISFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13-18-16(21-20-13)19-15(23)10-17(24)8-5-9-22(12-17)11-14-6-3-2-4-7-14/h2-4,6-7,24H,5,8-12H2,1H3,(H2,18,19,20,21,23).
What are the key properties of 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 154743994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).