[2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone

C22H28N6O — CID 119776619

IUPAC[2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCCCC2c2cc3ccccc3[nH]2)nnn1C1CCNCC1
InChIInChI=1S/C22H28N6O/c1-15-21(25-26-28(15)17-9-11-23-12-10-17)22(29)27-13-5-4-8-20(27)19-14-16-6-2-3-7-18(16)24-19/h2-3,6-7,14,17,20,23-24H,4-5,8-13H2,1H3
InChIKeyWQONIVNKSGYBJS-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.36
Rot. Bonds3

About [2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone

[2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone (PubChem CID 119776619) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is [2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
PubChem CID119776619
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name[2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCCCC2c2cc3ccccc3[nH]2)nnn1C1CCNCC1
InChIInChI=1S/C22H28N6O/c1-15-21(25-26-28(15)17-9-11-23-12-10-17)22(29)27-13-5-4-8-20(27)19-14-16-6-2-3-7-18(16)24-19/h2-3,6-7,14,17,20,23-24H,4-5,8-13H2,1H3
InChIKeyWQONIVNKSGYBJS-UHFFFAOYSA-N
XLogP3.36
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
CID 124701146
[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119776657
[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119773292
[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 124693006
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119693374
(5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 71878068
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(3-phenylthiomorpholin-4-yl)methanone;hydrochloride
CID 119708916
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 119721741
[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119748666
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
2-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 119689884
[4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone
CID 119683408

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone?
The IUPAC name of [2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone (CID 119776619) is [2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone.
What is the SMILES notation for [2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone?
The canonical SMILES for [2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone is Cc1c(C(=O)N2CCCCC2c2cc3ccccc3[nH]2)nnn1C1CCNCC1.
What is the InChIKey of [2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone?
The InChIKey is WQONIVNKSGYBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-15-21(25-26-28(15)17-9-11-23-12-10-17)22(29)27-13-5-4-8-20(27)19-14-16-6-2-3-7-18(16)24-19/h2-3,6-7,14,17,20,23-24H,4-5,8-13H2,1H3.
What are the key properties of [2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone?
[2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone has a molecular weight of 392.51 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone is sourced from PubChem (CID 119776619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).