2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide

C17H23N5O — CID 119462671

IUPAC2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide
SMILESCc1c(CC(=O)NCC2CCCNC2)nnn1-c1ccccc1
InChIInChI=1S/C17H23N5O/c1-13-16(20-21-22(13)15-7-3-2-4-8-15)10-17(23)19-12-14-6-5-9-18-11-14/h2-4,7-8,14,18H,5-6,9-12H2,1H3,(H,19,23)
InChIKeyHDYTXDGTXAWIIY-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.23
Rot. Bonds5

About 2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide

2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide (PubChem CID 119462671) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide
PubChem CID119462671
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide
SMILESCc1c(CC(=O)NCC2CCCNC2)nnn1-c1ccccc1
InChIInChI=1S/C17H23N5O/c1-13-16(20-21-22(13)15-7-3-2-4-8-15)10-17(23)19-12-14-6-5-9-18-11-14/h2-4,7-8,14,18H,5-6,9-12H2,1H3,(H,19,23)
InChIKeyHDYTXDGTXAWIIY-UHFFFAOYSA-N
XLogP1.23
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119512728
3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460021
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119460716
1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119461356
5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119463223
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119462604
5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119461578
2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide
CID 119459788
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide
CID 119574467
3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119462686
cis-(1S,3R)-3-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676507

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide?
The IUPAC name of 2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide (CID 119462671) is 2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide is Cc1c(CC(=O)NCC2CCCNC2)nnn1-c1ccccc1.
What is the InChIKey of 2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide?
The InChIKey is HDYTXDGTXAWIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-16(20-21-22(13)15-7-3-2-4-8-15)10-17(23)19-12-14-6-5-9-18-11-14/h2-4,7-8,14,18H,5-6,9-12H2,1H3,(H,19,23).
What are the key properties of 2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide?
2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide is sourced from PubChem (CID 119462671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).