(5-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone

C21H24N4O2 — CID 71724985

IUPAC(5-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCN(CCOc4cccnc4)CC3)cc2c1
InChIInChI=1S/C21H24N4O2/c1-16-4-5-19-17(13-16)14-20(23-19)21(26)25-9-7-24(8-10-25)11-12-27-18-3-2-6-22-15-18/h2-6,13-15,23H,7-12H2,1H3
InChIKeyJVCDVUFRMRFRFP-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.71
Rot. Bonds5

About (5-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone

(5-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone (PubChem CID 71724985) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (5-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
PubChem CID71724985
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(5-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCN(CCOc4cccnc4)CC3)cc2c1
InChIInChI=1S/C21H24N4O2/c1-16-4-5-19-17(13-16)14-20(23-19)21(26)25-9-7-24(8-10-25)11-12-27-18-3-2-6-22-15-18/h2-6,13-15,23H,7-12H2,1H3
InChIKeyJVCDVUFRMRFRFP-UHFFFAOYSA-N
XLogP2.71
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone (CID 71724985) is (5-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone is Cc1ccc2[nH]c(C(=O)N3CCN(CCOc4cccnc4)CC3)cc2c1.
What is the InChIKey of (5-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The InChIKey is JVCDVUFRMRFRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16-4-5-19-17(13-16)14-20(23-19)21(26)25-9-7-24(8-10-25)11-12-27-18-3-2-6-22-15-18/h2-6,13-15,23H,7-12H2,1H3.
What are the key properties of (5-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
(5-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71724985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).