(4-methoxy-2-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone

C20H25N3O3 — CID 71724960

IUPAC(4-methoxy-2-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(CCOc3cccnc3)CC2)c(C)c1
InChIInChI=1S/C20H25N3O3/c1-16-14-17(25-2)5-6-19(16)20(24)23-10-8-22(9-11-23)12-13-26-18-4-3-7-21-15-18/h3-7,14-15H,8-13H2,1-2H3
InChIKeyKARLVIFVRFFIOE-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.24
Rot. Bonds6

About (4-methoxy-2-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone

(4-methoxy-2-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone (PubChem CID 71724960) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
PubChem CID71724960
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(4-methoxy-2-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(CCOc3cccnc3)CC2)c(C)c1
InChIInChI=1S/C20H25N3O3/c1-16-14-17(25-2)5-6-19(16)20(24)23-10-8-22(9-11-23)12-13-26-18-4-3-7-21-15-18/h3-7,14-15H,8-13H2,1-2H3
InChIKeyKARLVIFVRFFIOE-UHFFFAOYSA-N
XLogP2.24
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methoxy-2-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone (CID 71724960) is (4-methoxy-2-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxy-2-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(CCOc3cccnc3)CC2)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
The InChIKey is KARLVIFVRFFIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-16-14-17(25-2)5-6-19(16)20(24)23-10-8-22(9-11-23)12-13-26-18-4-3-7-21-15-18/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of (4-methoxy-2-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone?
(4-methoxy-2-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71724960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).