N-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C18H25N5O3 — CID 90540574

IUPACN-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1
InChIInChI=1S/C18H25N5O3/c1-21-18(25)23(15-6-4-3-5-7-15)16(20-21)14-8-11-22(12-9-14)17(24)19-10-13-26-2/h3-7,14H,8-13H2,1-2H3,(H,19,24)
InChIKeyRJHGIGNFYCKJTC-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.11
Rot. Bonds5

About N-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 90540574) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID90540574
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1
InChIInChI=1S/C18H25N5O3/c1-21-18(25)23(15-6-4-3-5-7-15)16(20-21)14-8-11-22(12-9-14)17(24)19-10-13-26-2/h3-7,14H,8-13H2,1-2H3,(H,19,24)
InChIKeyRJHGIGNFYCKJTC-UHFFFAOYSA-N
XLogP1.11
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.11
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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Related Compounds

4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 121115335
N-methyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 71793786
2-methyl-5-[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]-4-phenyl-1,2,4-triazol-3-one
CID 90540453
ethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate
CID 71793801
2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-4-phenyl-1,2,4-triazol-3-one
CID 90540523
N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 71786930
5-[1-[2-(5-aminotetrazol-1-yl)acetyl]piperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 56703636
5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540480
2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-4-phenyl-1,2,4-triazol-3-one
CID 90540357
2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 90542873
5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540529
5-[(3R)-1-[1-(methoxymethyl)cyclopropanecarbonyl]piperidin-3-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 95199823

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 90540574) is N-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is COCCNC(=O)N1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is RJHGIGNFYCKJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-21-18(25)23(15-6-4-3-5-7-15)16(20-21)14-8-11-22(12-9-14)17(24)19-10-13-26-2/h3-7,14H,8-13H2,1-2H3,(H,19,24).
What are the key properties of N-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 90540574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).