N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide

C10H17N5O — CID 43602106

IUPACN-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(C(=O)Cn1cncn1)C1CCNCC1
InChIInChI=1S/C10H17N5O/c1-14(9-2-4-11-5-3-9)10(16)6-15-8-12-7-13-15/h7-9,11H,2-6H2,1H3
InChIKeyHLXZMJYSUWAHRK-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.51
Rot. Bonds3

About N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide

N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 43602106) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID43602106
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(C(=O)Cn1cncn1)C1CCNCC1
InChIInChI=1S/C10H17N5O/c1-14(9-2-4-11-5-3-9)10(16)6-15-8-12-7-13-15/h7-9,11H,2-6H2,1H3
InChIKeyHLXZMJYSUWAHRK-UHFFFAOYSA-N
XLogP-0.51
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide (CID 43602106) is N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide is CN(C(=O)Cn1cncn1)C1CCNCC1.
What is the InChIKey of N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is HLXZMJYSUWAHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-14(9-2-4-11-5-3-9)10(16)6-15-8-12-7-13-15/h7-9,11H,2-6H2,1H3.
What are the key properties of N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide?
N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 223.28 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 43602106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).