4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide

C16H29N5O4 — CID 121115335

IUPAC4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCCn1c(C2CCN(C(=O)NCCOC)CC2)nn(CCOC)c1=O
InChIInChI=1S/C16H29N5O4/c1-4-20-14(18-21(16(20)23)10-12-25-3)13-5-8-19(9-6-13)15(22)17-7-11-24-2/h13H,4-12H2,1-3H3,(H,17,22)
InChIKeyDERHNNUFGGHPKY-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.25
Rot. Bonds8

About 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide

4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide (PubChem CID 121115335) has the molecular formula C16H29N5O4 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
PubChem CID121115335
Molecular FormulaC16H29N5O4
Molecular Weight355.44 g/mol
Exact Mass355.22
IUPAC Name4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
SMILESCCn1c(C2CCN(C(=O)NCCOC)CC2)nn(CCOC)c1=O
InChIInChI=1S/C16H29N5O4/c1-4-20-14(18-21(16(20)23)10-12-25-3)13-5-8-19(9-6-13)15(22)17-7-11-24-2/h13H,4-12H2,1-3H3,(H,17,22)
InChIKeyDERHNNUFGGHPKY-UHFFFAOYSA-N
XLogP0.25
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide (CID 121115335) is 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide is CCn1c(C2CCN(C(=O)NCCOC)CC2)nn(CCOC)c1=O.
What is the InChIKey of 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide?
The InChIKey is DERHNNUFGGHPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O4/c1-4-20-14(18-21(16(20)23)10-12-25-3)13-5-8-19(9-6-13)15(22)17-7-11-24-2/h13H,4-12H2,1-3H3,(H,17,22).
What are the key properties of 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide?
4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 0.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 121115335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).