(2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone

C18H21N3O2 — CID 71877134

IUPAC(2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
SMILESCC1CN(C)CCN1C(=O)c1cccnc1Oc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-14-13-20(2)11-12-21(14)18(22)16-9-6-10-19-17(16)23-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3
InChIKeyBQVGXSOZKJFNCY-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.65
Rot. Bonds3

About (2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone

(2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone (PubChem CID 71877134) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
PubChem CID71877134
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
SMILESCC1CN(C)CCN1C(=O)c1cccnc1Oc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-14-13-20(2)11-12-21(14)18(22)16-9-6-10-19-17(16)23-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3
InChIKeyBQVGXSOZKJFNCY-UHFFFAOYSA-N
XLogP2.65
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone (CID 71877134) is (2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone is CC1CN(C)CCN1C(=O)c1cccnc1Oc1ccccc1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone?
The InChIKey is BQVGXSOZKJFNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14-13-20(2)11-12-21(14)18(22)16-9-6-10-19-17(16)23-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone?
(2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone has a molecular weight of 311.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone is sourced from PubChem (CID 71877134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).