3-[(2-ethylphenyl)methylamino]piperidin-2-one

C14H20N2O — CID 62392646

IUPAC3-[(2-ethylphenyl)methylamino]piperidin-2-one
SMILESCCc1ccccc1CNC1CCCNC1=O
InChIInChI=1S/C14H20N2O/c1-2-11-6-3-4-7-12(11)10-16-13-8-5-9-15-14(13)17/h3-4,6-7,13,16H,2,5,8-10H2,1H3,(H,15,17)
InChIKeyRHWPOUQJXNGULI-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.62
Rot. Bonds4

About 3-[(2-ethylphenyl)methylamino]piperidin-2-one

3-[(2-ethylphenyl)methylamino]piperidin-2-one (PubChem CID 62392646) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[(2-ethylphenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(2-ethylphenyl)methylamino]piperidin-2-one
PubChem CID62392646
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[(2-ethylphenyl)methylamino]piperidin-2-one
SMILESCCc1ccccc1CNC1CCCNC1=O
InChIInChI=1S/C14H20N2O/c1-2-11-6-3-4-7-12(11)10-16-13-8-5-9-15-14(13)17/h3-4,6-7,13,16H,2,5,8-10H2,1H3,(H,15,17)
InChIKeyRHWPOUQJXNGULI-UHFFFAOYSA-N
XLogP1.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylphenyl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(2-ethylphenyl)methylamino]piperidin-2-one (CID 62392646) is 3-[(2-ethylphenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(2-ethylphenyl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(2-ethylphenyl)methylamino]piperidin-2-one is CCc1ccccc1CNC1CCCNC1=O.
What is the InChIKey of 3-[(2-ethylphenyl)methylamino]piperidin-2-one?
The InChIKey is RHWPOUQJXNGULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-11-6-3-4-7-12(11)10-16-13-8-5-9-15-14(13)17/h3-4,6-7,13,16H,2,5,8-10H2,1H3,(H,15,17).
What are the key properties of 3-[(2-ethylphenyl)methylamino]piperidin-2-one?
3-[(2-ethylphenyl)methylamino]piperidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylphenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 62392646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).