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

C9H15N5O — CID 43167655

IUPACN-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NC1CCNCC1
InChIInChI=1S/C9H15N5O/c15-9(5-14-7-11-6-12-14)13-8-1-3-10-4-2-8/h6-8,10H,1-5H2,(H,13,15)
InChIKeyPWEUTVKCFXNXLC-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.85
Rot. Bonds3

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

N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 43167655) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID43167655
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NC1CCNCC1
InChIInChI=1S/C9H15N5O/c15-9(5-14-7-11-6-12-14)13-8-1-3-10-4-2-8/h6-8,10H,1-5H2,(H,13,15)
InChIKeyPWEUTVKCFXNXLC-UHFFFAOYSA-N
XLogP-0.85
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide (CID 43167655) is N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NC1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is PWEUTVKCFXNXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c15-9(5-14-7-11-6-12-14)13-8-1-3-10-4-2-8/h6-8,10H,1-5H2,(H,13,15).
What are the key properties of N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide?
N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 209.25 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 43167655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).