(1-methylindol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone

C21H24N4O2 — CID 71724947

IUPAC(1-methylindol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
SMILESCn1c(C(=O)N2CCN(CCOc3cccnc3)CC2)cc2ccccc21
InChIInChI=1S/C21H24N4O2/c1-23-19-7-3-2-5-17(19)15-20(23)21(26)25-11-9-24(10-12-25)13-14-27-18-6-4-8-22-16-18/h2-8,15-16H,9-14H2,1H3
InChIKeySTFWZQBPNBNMOE-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.41
Rot. Bonds5

About (1-methylindol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone

(1-methylindol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone (PubChem CID 71724947) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (1-methylindol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
PubChem CID71724947
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(1-methylindol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
SMILESCn1c(C(=O)N2CCN(CCOc3cccnc3)CC2)cc2ccccc21
InChIInChI=1S/C21H24N4O2/c1-23-19-7-3-2-5-17(19)15-20(23)21(26)25-11-9-24(10-12-25)13-14-27-18-6-4-8-22-16-18/h2-8,15-16H,9-14H2,1H3
InChIKeySTFWZQBPNBNMOE-UHFFFAOYSA-N
XLogP2.41
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylindol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-methylindol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone (CID 71724947) is (1-methylindol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylindol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-methylindol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone is Cn1c(C(=O)N2CCN(CCOc3cccnc3)CC2)cc2ccccc21.
What is the InChIKey of (1-methylindol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The InChIKey is STFWZQBPNBNMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-23-19-7-3-2-5-17(19)15-20(23)21(26)25-11-9-24(10-12-25)13-14-27-18-6-4-8-22-16-18/h2-8,15-16H,9-14H2,1H3.
What are the key properties of (1-methylindol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
(1-methylindol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71724947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).