3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one

C24H26N2O2 — CID 3490010

IUPAC3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one
SMILESCOc1ccc(N2CCN(CCC(=O)c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C24H26N2O2/c1-28-23-10-8-22(9-11-23)26-16-14-25(15-17-26)13-12-24(27)21-7-6-19-4-2-3-5-20(19)18-21/h2-11,18H,12-17H2,1H3
InChIKeyNGIYYMMYYSHHCL-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.24
Rot. Bonds6

About 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one

3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one (PubChem CID 3490010) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one
PubChem CID3490010
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one
SMILESCOc1ccc(N2CCN(CCC(=O)c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C24H26N2O2/c1-28-23-10-8-22(9-11-23)26-16-14-25(15-17-26)13-12-24(27)21-7-6-19-4-2-3-5-20(19)18-21/h2-11,18H,12-17H2,1H3
InChIKeyNGIYYMMYYSHHCL-UHFFFAOYSA-N
XLogP4.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one (CID 3490010) is 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one is COc1ccc(N2CCN(CCC(=O)c3ccc4ccccc4c3)CC2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one?
The InChIKey is NGIYYMMYYSHHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-28-23-10-8-22(9-11-23)26-16-14-25(15-17-26)13-12-24(27)21-7-6-19-4-2-3-5-20(19)18-21/h2-11,18H,12-17H2,1H3.
What are the key properties of 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one?
3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one has a molecular weight of 374.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 3490010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).