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

C18H25N5O2 — CID 91905133

IUPAC3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCCn1c(C2CCCN(C(=O)Nc3cccc(C)c3)C2)nn(C)c1=O
InChIInChI=1S/C18H25N5O2/c1-4-23-16(20-21(3)18(23)25)14-8-6-10-22(12-14)17(24)19-15-9-5-7-13(2)11-15/h5,7,9,11,14H,4,6,8,10,12H2,1-3H3,(H,19,24)
InChIKeyKGPJKIPXGMAVCZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.32
Rot. Bonds3

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

3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 91905133) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID91905133
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCCn1c(C2CCCN(C(=O)Nc3cccc(C)c3)C2)nn(C)c1=O
InChIInChI=1S/C18H25N5O2/c1-4-23-16(20-21(3)18(23)25)14-8-6-10-22(12-14)17(24)19-15-9-5-7-13(2)11-15/h5,7,9,11,14H,4,6,8,10,12H2,1-3H3,(H,19,24)
InChIKeyKGPJKIPXGMAVCZ-UHFFFAOYSA-N
XLogP2.32
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 120862894
4-ethyl-5-[1-[2-[4-(hydroxymethyl)phenyl]acetyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 56755310
6-[(3S)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 95230623
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
N-[2-[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-3-yl]acetamide
CID 95206250
3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 44754575
3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
5-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 56706913
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 56740506

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide (CID 91905133) is 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide is CCn1c(C2CCCN(C(=O)Nc3cccc(C)c3)C2)nn(C)c1=O.
What is the InChIKey of 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is KGPJKIPXGMAVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-23-16(20-21(3)18(23)25)14-8-6-10-22(12-14)17(24)19-15-9-5-7-13(2)11-15/h5,7,9,11,14H,4,6,8,10,12H2,1-3H3,(H,19,24).
What are the key properties of 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 91905133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).