5-(naphthalen-1-ylmethylamino)piperidin-2-one

C16H18N2O — CID 63378732

IUPAC5-(naphthalen-1-ylmethylamino)piperidin-2-one
SMILESO=C1CCC(NCc2cccc3ccccc23)CN1
InChIInChI=1S/C16H18N2O/c19-16-9-8-14(11-18-16)17-10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14,17H,8-11H2,(H,18,19)
InChIKeyCZWDOWDFDNAPSH-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.21
Rot. Bonds3

About 5-(naphthalen-1-ylmethylamino)piperidin-2-one

5-(naphthalen-1-ylmethylamino)piperidin-2-one (PubChem CID 63378732) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-(naphthalen-1-ylmethylamino)piperidin-2-one.

Molecular Properties

Compound Name5-(naphthalen-1-ylmethylamino)piperidin-2-one
PubChem CID63378732
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name5-(naphthalen-1-ylmethylamino)piperidin-2-one
SMILESO=C1CCC(NCc2cccc3ccccc23)CN1
InChIInChI=1S/C16H18N2O/c19-16-9-8-14(11-18-16)17-10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14,17H,8-11H2,(H,18,19)
InChIKeyCZWDOWDFDNAPSH-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-ylmethylamino)piperidin-2-one?
The IUPAC name of 5-(naphthalen-1-ylmethylamino)piperidin-2-one (CID 63378732) is 5-(naphthalen-1-ylmethylamino)piperidin-2-one.
What is the SMILES notation for 5-(naphthalen-1-ylmethylamino)piperidin-2-one?
The canonical SMILES for 5-(naphthalen-1-ylmethylamino)piperidin-2-one is O=C1CCC(NCc2cccc3ccccc23)CN1.
What is the InChIKey of 5-(naphthalen-1-ylmethylamino)piperidin-2-one?
The InChIKey is CZWDOWDFDNAPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16-9-8-14(11-18-16)17-10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14,17H,8-11H2,(H,18,19).
What are the key properties of 5-(naphthalen-1-ylmethylamino)piperidin-2-one?
5-(naphthalen-1-ylmethylamino)piperidin-2-one has a molecular weight of 254.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-ylmethylamino)piperidin-2-one is sourced from PubChem (CID 63378732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).