3-naphthalen-2-ylpiperazin-2-one

C14H14N2O — CID 62349991

IUPAC3-naphthalen-2-ylpiperazin-2-one
SMILESO=C1NCCNC1c1ccc2ccccc2c1
InChIInChI=1S/C14H14N2O/c17-14-13(15-7-8-16-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13,15H,7-8H2,(H,16,17)
InChIKeyAOCSMUHMHHJOCK-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.60
Rot. Bonds1

About 3-naphthalen-2-ylpiperazin-2-one

3-naphthalen-2-ylpiperazin-2-one (PubChem CID 62349991) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-naphthalen-2-ylpiperazin-2-one.

Molecular Properties

Compound Name3-naphthalen-2-ylpiperazin-2-one
PubChem CID62349991
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3-naphthalen-2-ylpiperazin-2-one
SMILESO=C1NCCNC1c1ccc2ccccc2c1
InChIInChI=1S/C14H14N2O/c17-14-13(15-7-8-16-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13,15H,7-8H2,(H,16,17)
InChIKeyAOCSMUHMHHJOCK-UHFFFAOYSA-N
XLogP1.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylpiperazin-2-one?
The IUPAC name of 3-naphthalen-2-ylpiperazin-2-one (CID 62349991) is 3-naphthalen-2-ylpiperazin-2-one.
What is the SMILES notation for 3-naphthalen-2-ylpiperazin-2-one?
The canonical SMILES for 3-naphthalen-2-ylpiperazin-2-one is O=C1NCCNC1c1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-ylpiperazin-2-one?
The InChIKey is AOCSMUHMHHJOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14-13(15-7-8-16-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13,15H,7-8H2,(H,16,17).
What are the key properties of 3-naphthalen-2-ylpiperazin-2-one?
3-naphthalen-2-ylpiperazin-2-one has a molecular weight of 226.28 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylpiperazin-2-one is sourced from PubChem (CID 62349991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).