2-piperidin-4-yloxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

C11H19N5O2 — CID 106282689

IUPAC2-piperidin-4-yloxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)COC1CCNCC1)c1ncn[nH]1
InChIInChI=1S/C11H19N5O2/c1-8(11-13-7-14-16-11)15-10(17)6-18-9-2-4-12-5-3-9/h7-9,12H,2-6H2,1H3,(H,15,17)(H,13,14,16)
InChIKeyYGCQKXDVCVMHQT-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.25
Rot. Bonds5

About 2-piperidin-4-yloxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

2-piperidin-4-yloxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 106282689) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-piperidin-4-yloxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-piperidin-4-yloxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID106282689
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-piperidin-4-yloxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)COC1CCNCC1)c1ncn[nH]1
InChIInChI=1S/C11H19N5O2/c1-8(11-13-7-14-16-11)15-10(17)6-18-9-2-4-12-5-3-9/h7-9,12H,2-6H2,1H3,(H,15,17)(H,13,14,16)
InChIKeyYGCQKXDVCVMHQT-UHFFFAOYSA-N
XLogP-0.25
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yloxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-piperidin-4-yloxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 106282689) is 2-piperidin-4-yloxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-piperidin-4-yloxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-piperidin-4-yloxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is CC(NC(=O)COC1CCNCC1)c1ncn[nH]1.
What is the InChIKey of 2-piperidin-4-yloxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is YGCQKXDVCVMHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8(11-13-7-14-16-11)15-10(17)6-18-9-2-4-12-5-3-9/h7-9,12H,2-6H2,1H3,(H,15,17)(H,13,14,16).
What are the key properties of 2-piperidin-4-yloxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-piperidin-4-yloxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 253.31 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yloxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 106282689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).