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

C20H24ClN3O2 — CID 24771303

IUPAC[6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(Oc2ccc(C(=O)N3CCN(C(C)C)CC3)cn2)ccc1Cl
InChIInChI=1S/C20H24ClN3O2/c1-14(2)23-8-10-24(11-9-23)20(25)16-4-7-19(22-13-16)26-17-5-6-18(21)15(3)12-17/h4-7,12-14H,8-11H2,1-3H3
InChIKeyGMWSIZHILLDUNS-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.00
Rot. Bonds4

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

[6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 24771303) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is [6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID24771303
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name[6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(Oc2ccc(C(=O)N3CCN(C(C)C)CC3)cn2)ccc1Cl
InChIInChI=1S/C20H24ClN3O2/c1-14(2)23-8-10-24(11-9-23)20(25)16-4-7-19(22-13-16)26-17-5-6-18(21)15(3)12-17/h4-7,12-14H,8-11H2,1-3H3
InChIKeyGMWSIZHILLDUNS-UHFFFAOYSA-N
XLogP4.00
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 24771303) is [6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is Cc1cc(Oc2ccc(C(=O)N3CCN(C(C)C)CC3)cn2)ccc1Cl.
What is the InChIKey of [6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is GMWSIZHILLDUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-14(2)23-8-10-24(11-9-23)20(25)16-4-7-19(22-13-16)26-17-5-6-18(21)15(3)12-17/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of [6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 373.88 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24771303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).