2-(1-ethylpiperidin-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide

C14H25N5O2 — CID 86286857

IUPAC2-(1-ethylpiperidin-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCN1CCC(CC(=O)NCCc2n[nH]c(=O)n2C)CC1
InChIInChI=1S/C14H25N5O2/c1-3-19-8-5-11(6-9-19)10-13(20)15-7-4-12-16-17-14(21)18(12)2/h11H,3-10H2,1-2H3,(H,15,20)(H,17,21)
InChIKeyVPTXFDXUFPKCFQ-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.11
Rot. Bonds6

About 2-(1-ethylpiperidin-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide

2-(1-ethylpiperidin-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 86286857) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID86286857
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-(1-ethylpiperidin-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCN1CCC(CC(=O)NCCc2n[nH]c(=O)n2C)CC1
InChIInChI=1S/C14H25N5O2/c1-3-19-8-5-11(6-9-19)10-13(20)15-7-4-12-16-17-14(21)18(12)2/h11H,3-10H2,1-2H3,(H,15,20)(H,17,21)
InChIKeyVPTXFDXUFPKCFQ-UHFFFAOYSA-N
XLogP-0.11
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide (CID 86286857) is 2-(1-ethylpiperidin-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide is CCN1CCC(CC(=O)NCCc2n[nH]c(=O)n2C)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is VPTXFDXUFPKCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-3-19-8-5-11(6-9-19)10-13(20)15-7-4-12-16-17-14(21)18(12)2/h11H,3-10H2,1-2H3,(H,15,20)(H,17,21).
What are the key properties of 2-(1-ethylpiperidin-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(1-ethylpiperidin-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 295.39 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 86286857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).