N-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide

C10H17N5O — CID 106995465

IUPACN-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide
SMILESCC1CC(NC(=O)Cn2ccnn2)CCN1
InChIInChI=1S/C10H17N5O/c1-8-6-9(2-3-11-8)13-10(16)7-15-5-4-12-14-15/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,13,16)
InChIKeyYCIOZODUYLUSPV-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.47
Rot. Bonds3

About N-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide

N-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide (PubChem CID 106995465) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide
PubChem CID106995465
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide
SMILESCC1CC(NC(=O)Cn2ccnn2)CCN1
InChIInChI=1S/C10H17N5O/c1-8-6-9(2-3-11-8)13-10(16)7-15-5-4-12-14-15/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,13,16)
InChIKeyYCIOZODUYLUSPV-UHFFFAOYSA-N
XLogP-0.47
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide (CID 106995465) is N-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide is CC1CC(NC(=O)Cn2ccnn2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide?
The InChIKey is YCIOZODUYLUSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-8-6-9(2-3-11-8)13-10(16)7-15-5-4-12-14-15/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,13,16).
What are the key properties of N-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide?
N-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide has a molecular weight of 223.28 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 106995465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).