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

C17H31N5O3 — CID 121115300

IUPACN-tert-butyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide
SMILESCCn1c(C2CCN(C(=O)NC(C)(C)C)CC2)nn(CCOC)c1=O
InChIInChI=1S/C17H31N5O3/c1-6-21-14(19-22(16(21)24)11-12-25-5)13-7-9-20(10-8-13)15(23)18-17(2,3)4/h13H,6-12H2,1-5H3,(H,18,23)
InChIKeyBEBWJFKXAOFKDW-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.40
Rot. Bonds5

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

N-tert-butyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide (PubChem CID 121115300) has the molecular formula C17H31N5O3 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-tert-butyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide
PubChem CID121115300
Molecular FormulaC17H31N5O3
Molecular Weight353.47 g/mol
Exact Mass353.24
IUPAC NameN-tert-butyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide
SMILESCCn1c(C2CCN(C(=O)NC(C)(C)C)CC2)nn(CCOC)c1=O
InChIInChI=1S/C17H31N5O3/c1-6-21-14(19-22(16(21)24)11-12-25-5)13-7-9-20(10-8-13)15(23)18-17(2,3)4/h13H,6-12H2,1-5H3,(H,18,23)
InChIKeyBEBWJFKXAOFKDW-UHFFFAOYSA-N
XLogP1.40
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide with MolForge

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Related Compounds

4-(2-Methoxyethyl)-3-(piperidin-3-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 83284141
4-ethyl-5-(3-piperidinyl)-2-(2-propoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 56711009
4-ethyl-5-(1-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}piperidin-4-yl)-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56749503
2-(1,4-dioxan-2-ylmethyl)-4-ethyl-5-(piperidin-4-ylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50961232
4-Ethyl-5-piperidin-4-yl-2-(2-propoxyethyl)-1,2,4-triazol-3-one
CID 50978549
4-ethyl-2-(2-hydroxyethyl)-5-(piperidin-4-ylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50981648
1-(2-Methoxyethyl)-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 52182278
2-[3-(2-Methoxyethylamino)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55156303
4-ethyl-2-methyl-5-[1-(2-methyl-2-morpholin-4-ylpropyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56754783
1-(1-Methoxypropan-2-yl)-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 60464065
2-[2-(2-Methoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936323
2-[2-(1-Methoxypropan-2-ylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62936661

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide (CID 121115300) is N-tert-butyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide is CCn1c(C2CCN(C(=O)NC(C)(C)C)CC2)nn(CCOC)c1=O.
What is the InChIKey of N-tert-butyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The InChIKey is BEBWJFKXAOFKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O3/c1-6-21-14(19-22(16(21)24)11-12-25-5)13-7-9-20(10-8-13)15(23)18-17(2,3)4/h13H,6-12H2,1-5H3,(H,18,23).
What are the key properties of N-tert-butyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
N-tert-butyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 121115300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).