ethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate

C18H24N4O3 — CID 71793801

IUPACethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1
InChIInChI=1S/C18H24N4O3/c1-3-25-16(23)13-21-11-9-14(10-12-21)17-19-20(2)18(24)22(17)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3
InChIKeyYKRBPKVMGAIYSF-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.31
Rot. Bonds5

About ethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate

ethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate (PubChem CID 71793801) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is ethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate
PubChem CID71793801
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Nameethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1
InChIInChI=1S/C18H24N4O3/c1-3-25-16(23)13-21-11-9-14(10-12-21)17-19-20(2)18(24)22(17)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3
InChIKeyYKRBPKVMGAIYSF-UHFFFAOYSA-N
XLogP1.31
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 71793786
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-[2-(5-aminotetrazol-1-yl)acetyl]piperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 56703636
2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 90542842
2-methyl-5-[1-(2-naphthalen-1-ylacetyl)piperidin-4-yl]-4-phenyl-1,2,4-triazol-3-one
CID 90540453
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
5-[(3S)-1-(3-ethoxypropanoyl)piperidin-3-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 95218521
ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
N-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 90540574
ethyl 4-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxobutanoate
CID 90542992
2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 121118008

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate (CID 71793801) is ethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate is CCOC(=O)CN1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1.
What is the InChIKey of ethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate?
The InChIKey is YKRBPKVMGAIYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-25-16(23)13-21-11-9-14(10-12-21)17-19-20(2)18(24)22(17)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3.
What are the key properties of ethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate?
ethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate has a molecular weight of 344.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetate is sourced from PubChem (CID 71793801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).