[6-(3-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C19H22ClN3O2 — CID 24771244

IUPAC[6-(3-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)nc2)CC1
InChIInChI=1S/C19H22ClN3O2/c1-14(2)22-8-10-23(11-9-22)19(24)15-6-7-18(21-13-15)25-17-5-3-4-16(20)12-17/h3-7,12-14H,8-11H2,1-2H3
InChIKeyXLMIUBHBSRXMGN-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.69
Rot. Bonds4

About [6-(3-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[6-(3-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 24771244) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is [6-(3-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID24771244
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name[6-(3-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)nc2)CC1
InChIInChI=1S/C19H22ClN3O2/c1-14(2)22-8-10-23(11-9-22)19(24)15-6-7-18(21-13-15)25-17-5-3-4-16(20)12-17/h3-7,12-14H,8-11H2,1-2H3
InChIKeyXLMIUBHBSRXMGN-UHFFFAOYSA-N
XLogP3.69
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-(3-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-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 [6-(3-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-(3-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 24771244) is [6-(3-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(3-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(3-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)nc2)CC1.
What is the InChIKey of [6-(3-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is XLMIUBHBSRXMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-14(2)22-8-10-23(11-9-22)19(24)15-6-7-18(21-13-15)25-17-5-3-4-16(20)12-17/h3-7,12-14H,8-11H2,1-2H3.
What are the key properties of [6-(3-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[6-(3-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 359.86 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24771244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).