(4-ethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C18H21N3O2 — CID 891507

IUPAC(4-ethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H21N3O2/c1-2-23-16-8-6-15(7-9-16)18(22)21-13-11-20(12-14-21)17-5-3-4-10-19-17/h3-10H,2,11-14H2,1H3
InChIKeyMJCFDCJTJAQAAW-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.44
Rot. Bonds4

About (4-ethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(4-ethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 891507) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID891507
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(4-ethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H21N3O2/c1-2-23-16-8-6-15(7-9-16)18(22)21-13-11-20(12-14-21)17-5-3-4-10-19-17/h3-10H,2,11-14H2,1H3
InChIKeyMJCFDCJTJAQAAW-UHFFFAOYSA-N
XLogP2.44
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-ethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 891507) is (4-ethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-ethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-ethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is CCOc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is MJCFDCJTJAQAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-23-16-8-6-15(7-9-16)18(22)21-13-11-20(12-14-21)17-5-3-4-10-19-17/h3-10H,2,11-14H2,1H3.
What are the key properties of (4-ethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(4-ethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 311.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 891507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).