5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one

C16H30N2O — CID 64655706

IUPAC5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(NC2CCCCC2C(C)(C)C)CCC1=O
InChIInChI=1S/C16H30N2O/c1-16(2,3)13-7-5-6-8-14(13)17-12-9-10-15(19)18(4)11-12/h12-14,17H,5-11H2,1-4H3
InChIKeyNTVOAQMQCKPXIX-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds2

About 5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one

5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one (PubChem CID 64655706) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one
PubChem CID64655706
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(NC2CCCCC2C(C)(C)C)CCC1=O
InChIInChI=1S/C16H30N2O/c1-16(2,3)13-7-5-6-8-14(13)17-12-9-10-15(19)18(4)11-12/h12-14,17H,5-11H2,1-4H3
InChIKeyNTVOAQMQCKPXIX-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one (CID 64655706) is 5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one is CN1CC(NC2CCCCC2C(C)(C)C)CCC1=O.
What is the InChIKey of 5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one?
The InChIKey is NTVOAQMQCKPXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-16(2,3)13-7-5-6-8-14(13)17-12-9-10-15(19)18(4)11-12/h12-14,17H,5-11H2,1-4H3.
What are the key properties of 5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one?
5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one has a molecular weight of 266.43 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64655706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).