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

C15H27N5O3 — CID 121115333

IUPACN-ethyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(c2nn(CCOC)c(=O)n2CC)CC1
InChIInChI=1S/C15H27N5O3/c1-4-16-14(21)18-8-6-12(7-9-18)13-17-20(10-11-23-3)15(22)19(13)5-2/h12H,4-11H2,1-3H3,(H,16,21)
InChIKeyIPWBAEZQGHSVQD-UHFFFAOYSA-N
MW325.41 g/mol
LogP0.62
Rot. Bonds6

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

N-ethyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide (PubChem CID 121115333) has the molecular formula C15H27N5O3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-ethyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide
PubChem CID121115333
Molecular FormulaC15H27N5O3
Molecular Weight325.41 g/mol
Exact Mass325.21
IUPAC NameN-ethyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(c2nn(CCOC)c(=O)n2CC)CC1
InChIInChI=1S/C15H27N5O3/c1-4-16-14(21)18-8-6-12(7-9-18)13-17-20(10-11-23-3)15(22)19(13)5-2/h12H,4-11H2,1-3H3,(H,16,21)
InChIKeyIPWBAEZQGHSVQD-UHFFFAOYSA-N
XLogP0.62
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-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-Ethyl-1-methyl-3-(piperidin-4-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 86820476
4-(2-Methoxyethyl)-3-(piperidin-3-YL)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 83284141
4-ethyl-2-(5-fluoropentyl)-5-(piperidin-4-ylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50984828
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
4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 72717203
2-(2-Methoxyethyl)-2,3,5,6,8,9-hexahydrospiro[[1,2,4]triazolo[4,3-A]azepine-7,4'-piperidin]-3-one
CID 86820486
2-Cyclohexyl-8-oxa-1,3-diaza-5-azoniaspiro[4.5]dec-1-en-4-one
CID 25178529
4-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-5-piperidin-4-yl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50960032
2-(1,4-dioxan-2-ylmethyl)-4-ethyl-5-(piperidin-4-ylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50961232
3-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-methylpropanamide
CID 50967863
4-ethyl-5-(4-piperidinyl)-2-(tetrahydro-2-furanylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 50972091

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide (CID 121115333) is N-ethyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide is CCNC(=O)N1CCC(c2nn(CCOC)c(=O)n2CC)CC1.
What is the InChIKey of N-ethyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The InChIKey is IPWBAEZQGHSVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3/c1-4-16-14(21)18-8-6-12(7-9-18)13-17-20(10-11-23-3)15(22)19(13)5-2/h12H,4-11H2,1-3H3,(H,16,21).
What are the key properties of N-ethyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
N-ethyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 121115333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).