1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone

C19H23N3O2 — CID 56814588

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cc2ccc(C)nc2)CC1
InChIInChI=1S/C19H23N3O2/c1-15-7-8-16(14-20-15)13-19(23)22-11-9-21(10-12-22)17-5-3-4-6-18(17)24-2/h3-8,14H,9-13H2,1-2H3
InChIKeyMRVHTGBOJPXADJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.29
Rot. Bonds4

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone (PubChem CID 56814588) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
PubChem CID56814588
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cc2ccc(C)nc2)CC1
InChIInChI=1S/C19H23N3O2/c1-15-7-8-16(14-20-15)13-19(23)22-11-9-21(10-12-22)17-5-3-4-6-18(17)24-2/h3-8,14H,9-13H2,1-2H3
InChIKeyMRVHTGBOJPXADJ-UHFFFAOYSA-N
XLogP2.29
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone (CID 56814588) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone is COc1ccccc1N1CCN(C(=O)Cc2ccc(C)nc2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
The InChIKey is MRVHTGBOJPXADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15-7-8-16(14-20-15)13-19(23)22-11-9-21(10-12-22)17-5-3-4-6-18(17)24-2/h3-8,14H,9-13H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone has a molecular weight of 325.41 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 56814588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).