1-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-2-phenylethanone

C24H24N2O3 — CID 1072081

IUPAC1-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C24H24N2O3/c27-23(16-19-6-2-1-3-7-19)25-12-14-26(15-13-25)24(28)18-29-22-11-10-20-8-4-5-9-21(20)17-22/h1-11,17H,12-16,18H2
InChIKeyBPTCJGVNSUEYAM-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.13
Rot. Bonds5

About 1-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-2-phenylethanone

1-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 1072081) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-2-phenylethanone
PubChem CID1072081
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name1-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C24H24N2O3/c27-23(16-19-6-2-1-3-7-19)25-12-14-26(15-13-25)24(28)18-29-22-11-10-20-8-4-5-9-21(20)17-22/h1-11,17H,12-16,18H2
InChIKeyBPTCJGVNSUEYAM-UHFFFAOYSA-N
XLogP3.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-2-phenylethanone (CID 1072081) is 1-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-2-phenylethanone is O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is BPTCJGVNSUEYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-23(16-19-6-2-1-3-7-19)25-12-14-26(15-13-25)24(28)18-29-22-11-10-20-8-4-5-9-21(20)17-22/h1-11,17H,12-16,18H2.
What are the key properties of 1-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-2-phenylethanone?
1-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 388.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 1072081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).