3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one

C15H28N2O — CID 62092650

IUPAC3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one
SMILESCC(C)(C)C1CCC(NC2CCCNC2=O)CC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)11-6-8-12(9-7-11)17-13-5-4-10-16-14(13)18/h11-13,17H,4-10H2,1-3H3,(H,16,18)
InChIKeyOHANYBXYGRYFKI-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.46
Rot. Bonds2

About 3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one

3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one (PubChem CID 62092650) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one
PubChem CID62092650
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one
SMILESCC(C)(C)C1CCC(NC2CCCNC2=O)CC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)11-6-8-12(9-7-11)17-13-5-4-10-16-14(13)18/h11-13,17H,4-10H2,1-3H3,(H,16,18)
InChIKeyOHANYBXYGRYFKI-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one?
The IUPAC name of 3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one (CID 62092650) is 3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one?
The canonical SMILES for 3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one is CC(C)(C)C1CCC(NC2CCCNC2=O)CC1.
What is the InChIKey of 3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one?
The InChIKey is OHANYBXYGRYFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2,3)11-6-8-12(9-7-11)17-13-5-4-10-16-14(13)18/h11-13,17H,4-10H2,1-3H3,(H,16,18).
What are the key properties of 3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one?
3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one has a molecular weight of 252.40 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylcyclohexyl)amino]piperidin-2-one is sourced from PubChem (CID 62092650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).