3-(2-phenylethylamino)piperidin-2-one

C13H18N2O — CID 62093018

IUPAC3-(2-phenylethylamino)piperidin-2-one
SMILESO=C1NCCCC1NCCc1ccccc1
InChIInChI=1S/C13H18N2O/c16-13-12(7-4-9-15-13)14-10-8-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2,(H,15,16)
InChIKeyPSZFKPUOENRAST-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.10
Rot. Bonds4

About 3-(2-phenylethylamino)piperidin-2-one

3-(2-phenylethylamino)piperidin-2-one (PubChem CID 62093018) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(2-phenylethylamino)piperidin-2-one.

Molecular Properties

Compound Name3-(2-phenylethylamino)piperidin-2-one
PubChem CID62093018
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(2-phenylethylamino)piperidin-2-one
SMILESO=C1NCCCC1NCCc1ccccc1
InChIInChI=1S/C13H18N2O/c16-13-12(7-4-9-15-13)14-10-8-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2,(H,15,16)
InChIKeyPSZFKPUOENRAST-UHFFFAOYSA-N
XLogP1.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethylamino)piperidin-2-one?
The IUPAC name of 3-(2-phenylethylamino)piperidin-2-one (CID 62093018) is 3-(2-phenylethylamino)piperidin-2-one.
What is the SMILES notation for 3-(2-phenylethylamino)piperidin-2-one?
The canonical SMILES for 3-(2-phenylethylamino)piperidin-2-one is O=C1NCCCC1NCCc1ccccc1.
What is the InChIKey of 3-(2-phenylethylamino)piperidin-2-one?
The InChIKey is PSZFKPUOENRAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-13-12(7-4-9-15-13)14-10-8-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2,(H,15,16).
What are the key properties of 3-(2-phenylethylamino)piperidin-2-one?
3-(2-phenylethylamino)piperidin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethylamino)piperidin-2-one is sourced from PubChem (CID 62093018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).