2-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

C18H21N5O — CID 87052091

IUPAC2-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCn1cnnc1C1CCCCN1C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H21N5O/c1-22-12-20-21-18(22)16-8-4-5-9-23(16)17(24)10-13-11-19-15-7-3-2-6-14(13)15/h2-3,6-7,11-12,16,19H,4-5,8-10H2,1H3
InChIKeyQGLXDIDJGBKNFR-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.59
Rot. Bonds3

About 2-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

2-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 87052091) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
PubChem CID87052091
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCn1cnnc1C1CCCCN1C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H21N5O/c1-22-12-20-21-18(22)16-8-4-5-9-23(16)17(24)10-13-11-19-15-7-3-2-6-14(13)15/h2-3,6-7,11-12,16,19H,4-5,8-10H2,1H3
InChIKeyQGLXDIDJGBKNFR-UHFFFAOYSA-N
XLogP2.59
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(3-Piperazin-1-yl-propyl)-5-[1,2,4]triazol-4-yl-1H-indole
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N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 16113248
(R)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-4-benzyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
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N-[(1R)-1-{4-benzyl-5-[2-(1H-indol-3-yl)ethyl]-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
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N-[(1R)-1-{4-benzyl-5-[2-(1H-indol-3-yl)ethyl]-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 16114514
2-amino-N-[(1R)-1-{4-[(4-ethylphenyl)methyl]-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]acetamide
CID 23648232
(2S)-N-[(1R)-1-[4-(4-ethylphenyl)-5-[2-(1H-indol-3-yl)ethyl]-4H-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (CID 87052091) is 2-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is Cn1cnnc1C1CCCCN1C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is QGLXDIDJGBKNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-22-12-20-21-18(22)16-8-4-5-9-23(16)17(24)10-13-11-19-15-7-3-2-6-14(13)15/h2-3,6-7,11-12,16,19H,4-5,8-10H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
2-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 323.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 87052091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).