3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]oxolan-2-one

C19H22N2O2 — CID 51311404

IUPAC3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C19H22N2O2/c22-19-18(8-13-23-19)21-11-9-20(10-12-21)14-16-6-3-5-15-4-1-2-7-17(15)16/h1-7,18H,8-14H2
InChIKeyKAPGDWJIVQVQPJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.27
Rot. Bonds3

About 3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]oxolan-2-one

3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]oxolan-2-one (PubChem CID 51311404) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]oxolan-2-one
PubChem CID51311404
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C19H22N2O2/c22-19-18(8-13-23-19)21-11-9-20(10-12-21)14-16-6-3-5-15-4-1-2-7-17(15)16/h1-7,18H,8-14H2
InChIKeyKAPGDWJIVQVQPJ-UHFFFAOYSA-N
XLogP2.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]oxolan-2-one?
The IUPAC name of 3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]oxolan-2-one (CID 51311404) is 3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]oxolan-2-one is O=C1OCCC1N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]oxolan-2-one?
The InChIKey is KAPGDWJIVQVQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19-18(8-13-23-19)21-11-9-20(10-12-21)14-16-6-3-5-15-4-1-2-7-17(15)16/h1-7,18H,8-14H2.
What are the key properties of 3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]oxolan-2-one?
3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]oxolan-2-one has a molecular weight of 310.40 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]oxolan-2-one is sourced from PubChem (CID 51311404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).