2-[4-(2-methoxy-3-pyridinyl)triazol-1-yl]-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)acetamide

C17H22N6O3 — CID 167967731

IUPAC2-[4-(2-methoxy-3-pyridinyl)triazol-1-yl]-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
SMILESCOc1ncccc1-c1cn(CC(=O)N(C)C2CCC(=O)N(C)C2)nn1
InChIInChI=1S/C17H22N6O3/c1-21-9-12(6-7-15(21)24)22(2)16(25)11-23-10-14(19-20-23)13-5-4-8-18-17(13)26-3/h4-5,8,10,12H,6-7,9,11H2,1-3H3
InChIKeyCDPXBHRGJOSFJK-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.43
Rot. Bonds5

About 2-[4-(2-methoxy-3-pyridinyl)triazol-1-yl]-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)acetamide

2-[4-(2-methoxy-3-pyridinyl)triazol-1-yl]-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)acetamide (PubChem CID 167967731) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[4-(2-methoxy-3-pyridinyl)triazol-1-yl]-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxy-3-pyridinyl)triazol-1-yl]-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
PubChem CID167967731
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name2-[4-(2-methoxy-3-pyridinyl)triazol-1-yl]-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
SMILESCOc1ncccc1-c1cn(CC(=O)N(C)C2CCC(=O)N(C)C2)nn1
InChIInChI=1S/C17H22N6O3/c1-21-9-12(6-7-15(21)24)22(2)16(25)11-23-10-14(19-20-23)13-5-4-8-18-17(13)26-3/h4-5,8,10,12H,6-7,9,11H2,1-3H3
InChIKeyCDPXBHRGJOSFJK-UHFFFAOYSA-N
XLogP0.43
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-3-pyridinyl)triazol-1-yl]-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)acetamide?
The IUPAC name of 2-[4-(2-methoxy-3-pyridinyl)triazol-1-yl]-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)acetamide (CID 167967731) is 2-[4-(2-methoxy-3-pyridinyl)triazol-1-yl]-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)acetamide.
What is the SMILES notation for 2-[4-(2-methoxy-3-pyridinyl)triazol-1-yl]-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)acetamide?
The canonical SMILES for 2-[4-(2-methoxy-3-pyridinyl)triazol-1-yl]-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)acetamide is COc1ncccc1-c1cn(CC(=O)N(C)C2CCC(=O)N(C)C2)nn1.
What is the InChIKey of 2-[4-(2-methoxy-3-pyridinyl)triazol-1-yl]-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)acetamide?
The InChIKey is CDPXBHRGJOSFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-21-9-12(6-7-15(21)24)22(2)16(25)11-23-10-14(19-20-23)13-5-4-8-18-17(13)26-3/h4-5,8,10,12H,6-7,9,11H2,1-3H3.
What are the key properties of 2-[4-(2-methoxy-3-pyridinyl)triazol-1-yl]-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)acetamide?
2-[4-(2-methoxy-3-pyridinyl)triazol-1-yl]-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)acetamide has a molecular weight of 358.40 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-3-pyridinyl)triazol-1-yl]-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)acetamide is sourced from PubChem (CID 167967731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).