1-naphthalen-2-yl-3-(4-phenylpiperazin-1-yl)propan-1-one

C23H24N2O — CID 676244

IUPAC1-naphthalen-2-yl-3-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCN1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O/c26-23(21-11-10-19-6-4-5-7-20(19)18-21)12-13-24-14-16-25(17-15-24)22-8-2-1-3-9-22/h1-11,18H,12-17H2
InChIKeyUTWZEAFHTFHBKG-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.23
Rot. Bonds5

About 1-naphthalen-2-yl-3-(4-phenylpiperazin-1-yl)propan-1-one

1-naphthalen-2-yl-3-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 676244) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID676244
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name1-naphthalen-2-yl-3-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(CCN1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H24N2O/c26-23(21-11-10-19-6-4-5-7-20(19)18-21)12-13-24-14-16-25(17-15-24)22-8-2-1-3-9-22/h1-11,18H,12-17H2
InChIKeyUTWZEAFHTFHBKG-UHFFFAOYSA-N
XLogP4.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-naphthalen-2-yl-3-(4-phenylpiperazin-1-yl)propan-1-one (CID 676244) is 1-naphthalen-2-yl-3-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-naphthalen-2-yl-3-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-naphthalen-2-yl-3-(4-phenylpiperazin-1-yl)propan-1-one is O=C(CCN1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-3-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is UTWZEAFHTFHBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c26-23(21-11-10-19-6-4-5-7-20(19)18-21)12-13-24-14-16-25(17-15-24)22-8-2-1-3-9-22/h1-11,18H,12-17H2.
What are the key properties of 1-naphthalen-2-yl-3-(4-phenylpiperazin-1-yl)propan-1-one?
1-naphthalen-2-yl-3-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 344.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 676244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).