3-[(3-methylcyclohexyl)amino]piperidin-2-one

C12H22N2O — CID 62092837

IUPAC3-[(3-methylcyclohexyl)amino]piperidin-2-one
SMILESCC1CCCC(NC2CCCNC2=O)C1
InChIInChI=1S/C12H22N2O/c1-9-4-2-5-10(8-9)14-11-6-3-7-13-12(11)15/h9-11,14H,2-8H2,1H3,(H,13,15)
InChIKeyLXCSQFRMRVAZRO-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.43
Rot. Bonds2

About 3-[(3-methylcyclohexyl)amino]piperidin-2-one

3-[(3-methylcyclohexyl)amino]piperidin-2-one (PubChem CID 62092837) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[(3-methylcyclohexyl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(3-methylcyclohexyl)amino]piperidin-2-one
PubChem CID62092837
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-[(3-methylcyclohexyl)amino]piperidin-2-one
SMILESCC1CCCC(NC2CCCNC2=O)C1
InChIInChI=1S/C12H22N2O/c1-9-4-2-5-10(8-9)14-11-6-3-7-13-12(11)15/h9-11,14H,2-8H2,1H3,(H,13,15)
InChIKeyLXCSQFRMRVAZRO-UHFFFAOYSA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylcyclohexyl)amino]piperidin-2-one?
The IUPAC name of 3-[(3-methylcyclohexyl)amino]piperidin-2-one (CID 62092837) is 3-[(3-methylcyclohexyl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(3-methylcyclohexyl)amino]piperidin-2-one?
The canonical SMILES for 3-[(3-methylcyclohexyl)amino]piperidin-2-one is CC1CCCC(NC2CCCNC2=O)C1.
What is the InChIKey of 3-[(3-methylcyclohexyl)amino]piperidin-2-one?
The InChIKey is LXCSQFRMRVAZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-4-2-5-10(8-9)14-11-6-3-7-13-12(11)15/h9-11,14H,2-8H2,1H3,(H,13,15).
What are the key properties of 3-[(3-methylcyclohexyl)amino]piperidin-2-one?
3-[(3-methylcyclohexyl)amino]piperidin-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylcyclohexyl)amino]piperidin-2-one is sourced from PubChem (CID 62092837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).