5-[(3-ethylcyclohexyl)amino]-1-methylpiperidin-2-one

C14H26N2O — CID 64655089

IUPAC5-[(3-ethylcyclohexyl)amino]-1-methylpiperidin-2-one
SMILESCCC1CCCC(NC2CCC(=O)N(C)C2)C1
InChIInChI=1S/C14H26N2O/c1-3-11-5-4-6-12(9-11)15-13-7-8-14(17)16(2)10-13/h11-13,15H,3-10H2,1-2H3
InChIKeySLWRMLWWRDDMEZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds3

About 5-[(3-ethylcyclohexyl)amino]-1-methylpiperidin-2-one

5-[(3-ethylcyclohexyl)amino]-1-methylpiperidin-2-one (PubChem CID 64655089) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-[(3-ethylcyclohexyl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(3-ethylcyclohexyl)amino]-1-methylpiperidin-2-one
PubChem CID64655089
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name5-[(3-ethylcyclohexyl)amino]-1-methylpiperidin-2-one
SMILESCCC1CCCC(NC2CCC(=O)N(C)C2)C1
InChIInChI=1S/C14H26N2O/c1-3-11-5-4-6-12(9-11)15-13-7-8-14(17)16(2)10-13/h11-13,15H,3-10H2,1-2H3
InChIKeySLWRMLWWRDDMEZ-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylcyclohexyl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(3-ethylcyclohexyl)amino]-1-methylpiperidin-2-one (CID 64655089) is 5-[(3-ethylcyclohexyl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(3-ethylcyclohexyl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(3-ethylcyclohexyl)amino]-1-methylpiperidin-2-one is CCC1CCCC(NC2CCC(=O)N(C)C2)C1.
What is the InChIKey of 5-[(3-ethylcyclohexyl)amino]-1-methylpiperidin-2-one?
The InChIKey is SLWRMLWWRDDMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-11-5-4-6-12(9-11)15-13-7-8-14(17)16(2)10-13/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 5-[(3-ethylcyclohexyl)amino]-1-methylpiperidin-2-one?
5-[(3-ethylcyclohexyl)amino]-1-methylpiperidin-2-one has a molecular weight of 238.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylcyclohexyl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64655089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).