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

C17H19N5O3S — CID 90592330

IUPAC1H-indol-3-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
SMILESCn1cnnc1S(=O)(=O)C1CCN(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H19N5O3S/c1-21-11-19-20-17(21)26(24,25)12-6-8-22(9-7-12)16(23)14-10-18-15-5-3-2-4-13(14)15/h2-5,10-12,18H,6-9H2,1H3
InChIKeyVDHSJTZNKLIMFA-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.37
Rot. Bonds3

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

1H-indol-3-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone (PubChem CID 90592330) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 1H-indol-3-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-3-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
PubChem CID90592330
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name1H-indol-3-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
SMILESCn1cnnc1S(=O)(=O)C1CCN(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H19N5O3S/c1-21-11-19-20-17(21)26(24,25)12-6-8-22(9-7-12)16(23)14-10-18-15-5-3-2-4-13(14)15/h2-5,10-12,18H,6-9H2,1H3
InChIKeyVDHSJTZNKLIMFA-UHFFFAOYSA-N
XLogP1.37
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-indol-6-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592273
(3-iodophenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592361
2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592285
4-cyclopropyl-5-[1-(1H-indole-3-carbonyl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 90540730
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
1H-indol-3-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 91910292
1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804849
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
CID 65281682
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 90511658

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-3-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone (CID 90592330) is 1H-indol-3-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-3-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-3-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone is Cn1cnnc1S(=O)(=O)C1CCN(C(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1H-indol-3-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone?
The InChIKey is VDHSJTZNKLIMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-21-11-19-20-17(21)26(24,25)12-6-8-22(9-7-12)16(23)14-10-18-15-5-3-2-4-13(14)15/h2-5,10-12,18H,6-9H2,1H3.
What are the key properties of 1H-indol-3-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone?
1H-indol-3-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone has a molecular weight of 373.44 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90592330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).