[4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone

C17H19N3O2 — CID 1245813

IUPAC[4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1cccc(N2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C17H19N3O2/c1-22-16-6-2-5-15(12-16)19-8-10-20(11-9-19)17(21)14-4-3-7-18-13-14/h2-7,12-13H,8-11H2,1H3
InChIKeyOMGRGGHGTJJKQQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.05
Rot. Bonds3

About [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone

[4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 1245813) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID1245813
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1cccc(N2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C17H19N3O2/c1-22-16-6-2-5-15(12-16)19-8-10-20(11-9-19)17(21)14-4-3-7-18-13-14/h2-7,12-13H,8-11H2,1H3
InChIKeyOMGRGGHGTJJKQQ-UHFFFAOYSA-N
XLogP2.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 1245813) is [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone is COc1cccc(N2CCN(C(=O)c3cccnc3)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is OMGRGGHGTJJKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-16-6-2-5-15(12-16)19-8-10-20(11-9-19)17(21)14-4-3-7-18-13-14/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone?
[4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 297.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 1245813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).