N-[1-[2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide

C17H28N6O2 — CID 56802723

IUPACN-[1-[2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)CN2CCCCC2Cn2cncn2)C1
InChIInChI=1S/C17H28N6O2/c1-14(24)20-15-5-4-8-22(9-15)17(25)11-21-7-3-2-6-16(21)10-23-13-18-12-19-23/h12-13,15-16H,2-11H2,1H3,(H,20,24)
InChIKeyDGKCCXYJPIGYLJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.26
Rot. Bonds5

About N-[1-[2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide

N-[1-[2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide (PubChem CID 56802723) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[1-[2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide
PubChem CID56802723
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC NameN-[1-[2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)CN2CCCCC2Cn2cncn2)C1
InChIInChI=1S/C17H28N6O2/c1-14(24)20-15-5-4-8-22(9-15)17(25)11-21-7-3-2-6-16(21)10-23-13-18-12-19-23/h12-13,15-16H,2-11H2,1H3,(H,20,24)
InChIKeyDGKCCXYJPIGYLJ-UHFFFAOYSA-N
XLogP0.26
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide (CID 56802723) is N-[1-[2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)CN2CCCCC2Cn2cncn2)C1.
What is the InChIKey of N-[1-[2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide?
The InChIKey is DGKCCXYJPIGYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-14(24)20-15-5-4-8-22(9-15)17(25)11-21-7-3-2-6-16(21)10-23-13-18-12-19-23/h12-13,15-16H,2-11H2,1H3,(H,20,24).
What are the key properties of N-[1-[2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide?
N-[1-[2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 56802723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).