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

C20H21ClN4O2 — CID 71724944

IUPAC(6-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccc(Cl)cc2[nH]1)N1CCN(CCOc2cccnc2)CC1
InChIInChI=1S/C20H21ClN4O2/c21-16-4-3-15-12-19(23-18(15)13-16)20(26)25-8-6-24(7-9-25)10-11-27-17-2-1-5-22-14-17/h1-5,12-14,23H,6-11H2
InChIKeyBQOOCNJGXJVXRO-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.05
Rot. Bonds5

About (6-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone

(6-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone (PubChem CID 71724944) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is (6-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
PubChem CID71724944
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name(6-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccc(Cl)cc2[nH]1)N1CCN(CCOc2cccnc2)CC1
InChIInChI=1S/C20H21ClN4O2/c21-16-4-3-15-12-19(23-18(15)13-16)20(26)25-8-6-24(7-9-25)10-11-27-17-2-1-5-22-14-17/h1-5,12-14,23H,6-11H2
InChIKeyBQOOCNJGXJVXRO-UHFFFAOYSA-N
XLogP3.05
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (6-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone (CID 71724944) is (6-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone is O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCN(CCOc2cccnc2)CC1.
What is the InChIKey of (6-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The InChIKey is BQOOCNJGXJVXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-16-4-3-15-12-19(23-18(15)13-16)20(26)25-8-6-24(7-9-25)10-11-27-17-2-1-5-22-14-17/h1-5,12-14,23H,6-11H2.
What are the key properties of (6-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
(6-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone has a molecular weight of 384.87 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71724944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).