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

C20H22N4O2 — CID 71725009

IUPAC1H-indol-2-yl-[4-(2-pyridin-4-yloxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(CCOc2ccncc2)CC1
InChIInChI=1S/C20H22N4O2/c25-20(19-15-16-3-1-2-4-18(16)22-19)24-11-9-23(10-12-24)13-14-26-17-5-7-21-8-6-17/h1-8,15,22H,9-14H2
InChIKeyNBXGUYASUMJQNP-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.40
Rot. Bonds5

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

1H-indol-2-yl-[4-(2-pyridin-4-yloxyethyl)piperazin-1-yl]methanone (PubChem CID 71725009) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1H-indol-2-yl-[4-(2-pyridin-4-yloxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[4-(2-pyridin-4-yloxyethyl)piperazin-1-yl]methanone
PubChem CID71725009
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1H-indol-2-yl-[4-(2-pyridin-4-yloxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(CCOc2ccncc2)CC1
InChIInChI=1S/C20H22N4O2/c25-20(19-15-16-3-1-2-4-18(16)22-19)24-11-9-23(10-12-24)13-14-26-17-5-7-21-8-6-17/h1-8,15,22H,9-14H2
InChIKeyNBXGUYASUMJQNP-UHFFFAOYSA-N
XLogP2.40
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1H-indol-2-yl-[4-(2-pyridin-4-yloxyethyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[4-(2-pyridin-4-yloxyethyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[4-(2-pyridin-4-yloxyethyl)piperazin-1-yl]methanone (CID 71725009) is 1H-indol-2-yl-[4-(2-pyridin-4-yloxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[4-(2-pyridin-4-yloxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[4-(2-pyridin-4-yloxyethyl)piperazin-1-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(CCOc2ccncc2)CC1.
What is the InChIKey of 1H-indol-2-yl-[4-(2-pyridin-4-yloxyethyl)piperazin-1-yl]methanone?
The InChIKey is NBXGUYASUMJQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-20(19-15-16-3-1-2-4-18(16)22-19)24-11-9-23(10-12-24)13-14-26-17-5-7-21-8-6-17/h1-8,15,22H,9-14H2.
What are the key properties of 1H-indol-2-yl-[4-(2-pyridin-4-yloxyethyl)piperazin-1-yl]methanone?
1H-indol-2-yl-[4-(2-pyridin-4-yloxyethyl)piperazin-1-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[4-(2-pyridin-4-yloxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71725009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).