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

C19H22ClN3O2 — CID 24770911

IUPAC[6-(2-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(Oc3ccccc3Cl)nc2)CC1
InChIInChI=1S/C19H22ClN3O2/c1-14(2)22-9-11-23(12-10-22)19(24)15-7-8-18(21-13-15)25-17-6-4-3-5-16(17)20/h3-8,13-14H,9-12H2,1-2H3
InChIKeyZPSZTRJCIUSPSL-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.69
Rot. Bonds4

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

[6-(2-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 24770911) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is [6-(2-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID24770911
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name[6-(2-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(Oc3ccccc3Cl)nc2)CC1
InChIInChI=1S/C19H22ClN3O2/c1-14(2)22-9-11-23(12-10-22)19(24)15-7-8-18(21-13-15)25-17-6-4-3-5-16(17)20/h3-8,13-14H,9-12H2,1-2H3
InChIKeyZPSZTRJCIUSPSL-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

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Related Compounds

CID 24771368
CID 24771368
CID 2774902
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CID 53311869
CID 53311869
CID 44236998
CID 44236998
CID 44237008
CID 44237008
CID 44237009
CID 44237009
CID 46195848
CID 46195848
CID 24771363
CID 24771363
CID 24771416
CID 24771416
CID 24771419
CID 24771419
CID 24771420
CID 24771420
CID 24771524
CID 24771524

Frequently Asked Questions

What is the IUPAC name of [6-(2-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-(2-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 24770911) is [6-(2-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(2-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(2-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc(Oc3ccccc3Cl)nc2)CC1.
What is the InChIKey of [6-(2-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZPSZTRJCIUSPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-14(2)22-9-11-23(12-10-22)19(24)15-7-8-18(21-13-15)25-17-6-4-3-5-16(17)20/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [6-(2-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[6-(2-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-(2-chlorophenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24770911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).