1-[(2S)-2-amino-2-cyclohexylethyl]piperidin-2-one

C13H24N2O — CID 70316929

IUPAC1-[(2S)-2-amino-2-cyclohexylethyl]piperidin-2-one
SMILESN[C@H](CN1CCCCC1=O)C1CCCCC1
InChIInChI=1S/C13H24N2O/c14-12(11-6-2-1-3-7-11)10-15-9-5-4-8-13(15)16/h11-12H,1-10,14H2/t12-/m1/s1
InChIKeyTWGLSMVWOLGMLO-GFCCVEGCSA-N
MW224.35 g/mol
LogP1.91
Rot. Bonds3

About 1-[(2S)-2-amino-2-cyclohexylethyl]piperidin-2-one

1-[(2S)-2-amino-2-cyclohexylethyl]piperidin-2-one (PubChem CID 70316929) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[(2S)-2-amino-2-cyclohexylethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-amino-2-cyclohexylethyl]piperidin-2-one
PubChem CID70316929
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[(2S)-2-amino-2-cyclohexylethyl]piperidin-2-one
SMILESN[C@H](CN1CCCCC1=O)C1CCCCC1
InChIInChI=1S/C13H24N2O/c14-12(11-6-2-1-3-7-11)10-15-9-5-4-8-13(15)16/h11-12H,1-10,14H2/t12-/m1/s1
InChIKeyTWGLSMVWOLGMLO-GFCCVEGCSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-2-cyclohexylethyl]piperidin-2-one?
The IUPAC name of 1-[(2S)-2-amino-2-cyclohexylethyl]piperidin-2-one (CID 70316929) is 1-[(2S)-2-amino-2-cyclohexylethyl]piperidin-2-one.
What is the SMILES notation for 1-[(2S)-2-amino-2-cyclohexylethyl]piperidin-2-one?
The canonical SMILES for 1-[(2S)-2-amino-2-cyclohexylethyl]piperidin-2-one is N[C@H](CN1CCCCC1=O)C1CCCCC1.
What is the InChIKey of 1-[(2S)-2-amino-2-cyclohexylethyl]piperidin-2-one?
The InChIKey is TWGLSMVWOLGMLO-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N2O/c14-12(11-6-2-1-3-7-11)10-15-9-5-4-8-13(15)16/h11-12H,1-10,14H2/t12-/m1/s1.
What are the key properties of 1-[(2S)-2-amino-2-cyclohexylethyl]piperidin-2-one?
1-[(2S)-2-amino-2-cyclohexylethyl]piperidin-2-one has a molecular weight of 224.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-2-cyclohexylethyl]piperidin-2-one is sourced from PubChem (CID 70316929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).