N-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C15H27N5O2 — CID 119754980

IUPACN-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCOCCN(CC)C(=O)c1nnn(C2CCNCC2)c1C
InChIInChI=1S/C15H27N5O2/c1-4-19(10-11-22-5-2)15(21)14-12(3)20(18-17-14)13-6-8-16-9-7-13/h13,16H,4-11H2,1-3H3
InChIKeyFESCFYKHYAPNMZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.01
Rot. Bonds7

About N-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119754980) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119754980
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCOCCN(CC)C(=O)c1nnn(C2CCNCC2)c1C
InChIInChI=1S/C15H27N5O2/c1-4-19(10-11-22-5-2)15(21)14-12(3)20(18-17-14)13-6-8-16-9-7-13/h13,16H,4-11H2,1-3H3
InChIKeyFESCFYKHYAPNMZ-UHFFFAOYSA-N
XLogP1.01
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.01
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-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119754980) is N-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is CCOCCN(CC)C(=O)c1nnn(C2CCNCC2)c1C.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is FESCFYKHYAPNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-4-19(10-11-22-5-2)15(21)14-12(3)20(18-17-14)13-6-8-16-9-7-13/h13,16H,4-11H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119754980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).