[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]-phenylmethanone

C25H28N2O2 — CID 3055311

IUPAC[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc2cc(C(C)CN3CCN(C(=O)c4ccccc4)CC3)ccc2c1
InChIInChI=1S/C25H28N2O2/c1-19(21-8-9-23-17-24(29-2)11-10-22(23)16-21)18-26-12-14-27(15-13-26)25(28)20-6-4-3-5-7-20/h3-11,16-17,19H,12-15,18H2,1-2H3
InChIKeyXYUYIOYRMRQHMI-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.41
Rot. Bonds5

About [4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]-phenylmethanone

[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]-phenylmethanone (PubChem CID 3055311) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is [4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]-phenylmethanone
PubChem CID3055311
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc2cc(C(C)CN3CCN(C(=O)c4ccccc4)CC3)ccc2c1
InChIInChI=1S/C25H28N2O2/c1-19(21-8-9-23-17-24(29-2)11-10-22(23)16-21)18-26-12-14-27(15-13-26)25(28)20-6-4-3-5-7-20/h3-11,16-17,19H,12-15,18H2,1-2H3
InChIKeyXYUYIOYRMRQHMI-UHFFFAOYSA-N
XLogP4.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]-phenylmethanone (CID 3055311) is [4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]-phenylmethanone is COc1ccc2cc(C(C)CN3CCN(C(=O)c4ccccc4)CC3)ccc2c1.
What is the InChIKey of [4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is XYUYIOYRMRQHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-19(21-8-9-23-17-24(29-2)11-10-22(23)16-21)18-26-12-14-27(15-13-26)25(28)20-6-4-3-5-7-20/h3-11,16-17,19H,12-15,18H2,1-2H3.
What are the key properties of [4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]-phenylmethanone?
[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 388.51 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 3055311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).