(3,4-diethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H25N3O3 — CID 2949045

IUPAC(3,4-diethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1OCC
InChIInChI=1S/C20H25N3O3/c1-3-25-17-9-8-16(15-18(17)26-4-2)20(24)23-13-11-22(12-14-23)19-7-5-6-10-21-19/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyNENCKSIXQDQOIF-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.84
Rot. Bonds6

About (3,4-diethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(3,4-diethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 2949045) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID2949045
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(3,4-diethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1OCC
InChIInChI=1S/C20H25N3O3/c1-3-25-17-9-8-16(15-18(17)26-4-2)20(24)23-13-11-22(12-14-23)19-7-5-6-10-21-19/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyNENCKSIXQDQOIF-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3,4-diethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 2949045) is (3,4-diethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3,4-diethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3,4-diethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is CCOc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is NENCKSIXQDQOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-25-17-9-8-16(15-18(17)26-4-2)20(24)23-13-11-22(12-14-23)19-7-5-6-10-21-19/h5-10,15H,3-4,11-14H2,1-2H3.
What are the key properties of (3,4-diethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(3,4-diethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2949045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).