2H-benzotriazol-5-yl-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methanone

C21H21N5O2 — CID 126951864

IUPAC2H-benzotriazol-5-yl-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methanone
SMILESCn1ccc2c(OC3CCN(C(=O)c4ccc5n[nH]nc5c4)CC3)cccc21
InChIInChI=1S/C21H21N5O2/c1-25-10-9-16-19(25)3-2-4-20(16)28-15-7-11-26(12-8-15)21(27)14-5-6-17-18(13-14)23-24-22-17/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,22,23,24)
InChIKeyRKRJDIZXRLJACA-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.13
Rot. Bonds3

About 2H-benzotriazol-5-yl-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methanone

2H-benzotriazol-5-yl-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 126951864) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methanone
PubChem CID126951864
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2H-benzotriazol-5-yl-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methanone
SMILESCn1ccc2c(OC3CCN(C(=O)c4ccc5n[nH]nc5c4)CC3)cccc21
InChIInChI=1S/C21H21N5O2/c1-25-10-9-16-19(25)3-2-4-20(16)28-15-7-11-26(12-8-15)21(27)14-5-6-17-18(13-14)23-24-22-17/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,22,23,24)
InChIKeyRKRJDIZXRLJACA-UHFFFAOYSA-N
XLogP3.13
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(1-methylpiperidin-4-yl)oxyindole
CID 126952178
[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone
CID 126951816
4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629098
2H-benzotriazol-5-yl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029470
2H-benzotriazol-5-yl-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 77096803
(5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone
CID 126952507
4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]sulfonylmorpholine
CID 126951892
[4-(1-cyclopentylindol-4-yl)oxypiperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 126952991
2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953341
6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126952728
3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole
CID 126951949
2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592285

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of 2H-benzotriazol-5-yl-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methanone (CID 126951864) is 2H-benzotriazol-5-yl-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methanone is Cn1ccc2c(OC3CCN(C(=O)c4ccc5n[nH]nc5c4)CC3)cccc21.
What is the InChIKey of 2H-benzotriazol-5-yl-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is RKRJDIZXRLJACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-25-10-9-16-19(25)3-2-4-20(16)28-15-7-11-26(12-8-15)21(27)14-5-6-17-18(13-14)23-24-22-17/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,22,23,24).
What are the key properties of 2H-benzotriazol-5-yl-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methanone?
2H-benzotriazol-5-yl-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 375.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 126951864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).