2-naphthalen-2-yloxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C19H24N2O2 — CID 831485

IUPAC2-naphthalen-2-yloxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H24N2O2/c1-15(2)20-9-11-21(12-10-20)19(22)14-23-18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyMYDPRFCMOSABMU-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.77
Rot. Bonds4

About 2-naphthalen-2-yloxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-naphthalen-2-yloxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 831485) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID831485
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-naphthalen-2-yloxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H24N2O2/c1-15(2)20-9-11-21(12-10-20)19(22)14-23-18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyMYDPRFCMOSABMU-UHFFFAOYSA-N
XLogP2.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-naphthalen-2-yloxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 831485) is 2-naphthalen-2-yloxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-naphthalen-2-yloxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-naphthalen-2-yloxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is MYDPRFCMOSABMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15(2)20-9-11-21(12-10-20)19(22)14-23-18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of 2-naphthalen-2-yloxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-naphthalen-2-yloxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 312.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 831485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).