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

C14H24N6O2 — CID 56802650

IUPACN-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCC(=O)NCCNC(=O)CN1CCCC(Cn2cncn2)C1
InChIInChI=1S/C14H24N6O2/c1-12(21)16-4-5-17-14(22)9-19-6-2-3-13(7-19)8-20-11-15-10-18-20/h10-11,13H,2-9H2,1H3,(H,16,21)(H,17,22)
InChIKeyVYDPTSXAIMTGMP-UHFFFAOYSA-N
MW308.39 g/mol
LogP-0.76
Rot. Bonds7

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

N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 56802650) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID56802650
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC NameN-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCC(=O)NCCNC(=O)CN1CCCC(Cn2cncn2)C1
InChIInChI=1S/C14H24N6O2/c1-12(21)16-4-5-17-14(22)9-19-6-2-3-13(7-19)8-20-11-15-10-18-20/h10-11,13H,2-9H2,1H3,(H,16,21)(H,17,22)
InChIKeyVYDPTSXAIMTGMP-UHFFFAOYSA-N
XLogP-0.76
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 56802650) is N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is CC(=O)NCCNC(=O)CN1CCCC(Cn2cncn2)C1.
What is the InChIKey of N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is VYDPTSXAIMTGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-12(21)16-4-5-17-14(22)9-19-6-2-3-13(7-19)8-20-11-15-10-18-20/h10-11,13H,2-9H2,1H3,(H,16,21)(H,17,22).
What are the key properties of N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 308.39 g/mol, XLogP of -0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 56802650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).