methyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate

C19H24N4O4 — CID 56701492

IUPACmethyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate
SMILESCCn1c(C2CCN(C(=O)c3ccccc3C(=O)OC)CC2)nn(C)c1=O
InChIInChI=1S/C19H24N4O4/c1-4-23-16(20-21(2)19(23)26)13-9-11-22(12-10-13)17(24)14-7-5-6-8-15(14)18(25)27-3/h5-8,13H,4,9-12H2,1-3H3
InChIKeyUMCBDAOTLJEROU-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.41
Rot. Bonds4

About methyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate

methyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate (PubChem CID 56701492) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is methyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate
PubChem CID56701492
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Namemethyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate
SMILESCCn1c(C2CCN(C(=O)c3ccccc3C(=O)OC)CC2)nn(C)c1=O
InChIInChI=1S/C19H24N4O4/c1-4-23-16(20-21(2)19(23)26)13-9-11-22(12-10-13)17(24)14-7-5-6-8-15(14)18(25)27-3/h5-8,13H,4,9-12H2,1-3H3
InChIKeyUMCBDAOTLJEROU-UHFFFAOYSA-N
XLogP1.41
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate with MolForge

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Related Compounds

4-ethyl-2-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56753977
4-ethyl-2-methyl-5-[1-(1-methylindazole-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56721319
4-ethyl-2-methyl-5-[1-(2-methyl-1H-benzimidazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56717417
N-[2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 56760663
4-ethyl-5-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 56754576
5-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 56700544
4-ethyl-2-(2-methoxyethyl)-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 72717136
2-benzyl-4-ethyl-5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115527
2-benzyl-4-ethyl-5-[1-(2-nitrobenzoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115451
5-[1-(2,2-diphenylacetyl)piperidin-4-yl]-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one
CID 121115214
4-ethyl-2-methyl-5-[1-(5-propylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56710711
5-[1-(2-ethylsulfanylbenzoyl)piperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540480

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate?
The IUPAC name of methyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate (CID 56701492) is methyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate.
What is the SMILES notation for methyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate?
The canonical SMILES for methyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate is CCn1c(C2CCN(C(=O)c3ccccc3C(=O)OC)CC2)nn(C)c1=O.
What is the InChIKey of methyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate?
The InChIKey is UMCBDAOTLJEROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-4-23-16(20-21(2)19(23)26)13-9-11-22(12-10-13)17(24)14-7-5-6-8-15(14)18(25)27-3/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of methyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate?
methyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate has a molecular weight of 372.43 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzoate is sourced from PubChem (CID 56701492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).