4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one

C19H23N5O2 — CID 56740506

IUPAC4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)nn(C)c1=O
InChIInChI=1S/C19H23N5O2/c1-3-24-17(21-22(2)19(24)26)15-5-4-10-23(12-15)18(25)14-6-7-16-13(11-14)8-9-20-16/h6-9,11,15,20H,3-5,10,12H2,1-2H3
InChIKeyOJRRHFSAZKLGKH-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.10
Rot. Bonds3

About 4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one

4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one (PubChem CID 56740506) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
PubChem CID56740506
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)nn(C)c1=O
InChIInChI=1S/C19H23N5O2/c1-3-24-17(21-22(2)19(24)26)15-5-4-10-23(12-15)18(25)14-6-7-16-13(11-14)8-9-20-16/h6-9,11,15,20H,3-5,10,12H2,1-2H3
InChIKeyOJRRHFSAZKLGKH-UHFFFAOYSA-N
XLogP2.10
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one with MolForge

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Related Compounds

5-[(3R)-1-(4-chloro-3-fluorobenzoyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 95214059
4-ethyl-2-methyl-5-[(3S)-1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 95222497
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
2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119069700
2-[(3S)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-quinazolin-4-one
CID 136743347
4-ethyl-5-[1-(2-hydroxy-5-pyrrol-1-ylbenzoyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 56719419
4-ethyl-2-methyl-5-[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]-1,2,4-triazol-3-one
CID 95213380
4-ethyl-5-[(3S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 95197415
[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 11257794
5-[(3R)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 95214217
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 112627387
5-[(3S)-1-(5-ethoxyfuran-2-carbonyl)piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 95202411

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one (CID 56740506) is 4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one is CCn1c(C2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)nn(C)c1=O.
What is the InChIKey of 4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one?
The InChIKey is OJRRHFSAZKLGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-3-24-17(21-22(2)19(24)26)15-5-4-10-23(12-15)18(25)14-6-7-16-13(11-14)8-9-20-16/h6-9,11,15,20H,3-5,10,12H2,1-2H3.
What are the key properties of 4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one?
4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one has a molecular weight of 353.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[1-(1H-indole-5-carbonyl)piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 56740506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).