N-(2-methoxyethyl)-3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C15H27N5O3 — CID 90541376

IUPACN-(2-methoxyethyl)-3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCCC(c2nn(C)c(=O)n2C(C)C)C1
InChIInChI=1S/C15H27N5O3/c1-11(2)20-13(17-18(3)15(20)22)12-6-5-8-19(10-12)14(21)16-7-9-23-4/h11-12H,5-10H2,1-4H3,(H,16,21)
InChIKeyATEDITXEGQXBLV-UHFFFAOYSA-N
MW325.41 g/mol
LogP0.70
Rot. Bonds5

About N-(2-methoxyethyl)-3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-(2-methoxyethyl)-3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 90541376) has the molecular formula C15H27N5O3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID90541376
Molecular FormulaC15H27N5O3
Molecular Weight325.41 g/mol
Exact Mass325.21
IUPAC NameN-(2-methoxyethyl)-3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCCC(c2nn(C)c(=O)n2C(C)C)C1
InChIInChI=1S/C15H27N5O3/c1-11(2)20-13(17-18(3)15(20)22)12-6-5-8-19(10-12)14(21)16-7-9-23-4/h11-12H,5-10H2,1-4H3,(H,16,21)
InChIKeyATEDITXEGQXBLV-UHFFFAOYSA-N
XLogP0.70
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.70
H-Bond Donors ≤ 51
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-methoxyethyl)-3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 90541376) is N-(2-methoxyethyl)-3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is COCCNC(=O)N1CCCC(c2nn(C)c(=O)n2C(C)C)C1.
What is the InChIKey of N-(2-methoxyethyl)-3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is ATEDITXEGQXBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3/c1-11(2)20-13(17-18(3)15(20)22)12-6-5-8-19(10-12)14(21)16-7-9-23-4/h11-12H,5-10H2,1-4H3,(H,16,21).
What are the key properties of N-(2-methoxyethyl)-3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-(2-methoxyethyl)-3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(1-methyl-5-oxo-4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 90541376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).