N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide

C17H29N5O4 — CID 136903589

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCOCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C17H29N5O4/c1-25-10-8-21-6-4-13(5-7-21)11-22(12-14-3-2-9-26-14)16(23)15-18-17(24)20-19-15/h13-14H,2-12H2,1H3,(H2,18,19,20,24)/t14-/m0/s1
InChIKeyXXCNELMXVJKLDV-AWEZNQCLSA-N
MW367.45 g/mol
LogP0.08
Rot. Bonds8

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136903589) has the molecular formula C17H29N5O4 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136903589
Molecular FormulaC17H29N5O4
Molecular Weight367.45 g/mol
Exact Mass367.22
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCOCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C17H29N5O4/c1-25-10-8-21-6-4-13(5-7-21)11-22(12-14-3-2-9-26-14)16(23)15-18-17(24)20-19-15/h13-14H,2-12H2,1H3,(H2,18,19,20,24)/t14-/m0/s1
InChIKeyXXCNELMXVJKLDV-AWEZNQCLSA-N
XLogP0.08
TPSA103.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

2-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 50973452
2-(4-(4-cyclopropyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 90542975
2-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95135452
2-[4-ethyl-5-oxo-3-(piperidin-4-ylmethyl)-1,2,4-triazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 95135453
2-(3-(1-(cyclopropanecarbonyl)piperidin-4-yl)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 121069975
2-(4-(4-ethyl-1-(2-methoxyethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 121118201
4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)-1,2,4-triazol-3-one
CID 128965566
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-oxo-N-(tetrahydrofuran-2-ylmethyl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxamide
CID 136232316
3-(2-Propylmorpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136315881
3-[(2R)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136706827
3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136706828
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136903590

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136903589) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide is COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2n[nH]c(=O)[nH]2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is XXCNELMXVJKLDV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29N5O4/c1-25-10-8-21-6-4-13(5-7-21)11-22(12-14-3-2-9-26-14)16(23)15-18-17(24)20-19-15/h13-14H,2-12H2,1H3,(H2,18,19,20,24)/t14-/m0/s1.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136903589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).