3-(cyclopropylamino)-1-(3-ethylcyclohexyl)piperidin-2-one

C16H28N2O — CID 64747595

IUPAC3-(cyclopropylamino)-1-(3-ethylcyclohexyl)piperidin-2-one
SMILESCCC1CCCC(N2CCCC(NC3CC3)C2=O)C1
InChIInChI=1S/C16H28N2O/c1-2-12-5-3-6-14(11-12)18-10-4-7-15(16(18)19)17-13-8-9-13/h12-15,17H,2-11H2,1H3
InChIKeyPWMQQTZQSZCNLJ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.70
Rot. Bonds4

About 3-(cyclopropylamino)-1-(3-ethylcyclohexyl)piperidin-2-one

3-(cyclopropylamino)-1-(3-ethylcyclohexyl)piperidin-2-one (PubChem CID 64747595) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(3-ethylcyclohexyl)piperidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(3-ethylcyclohexyl)piperidin-2-one
PubChem CID64747595
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-(cyclopropylamino)-1-(3-ethylcyclohexyl)piperidin-2-one
SMILESCCC1CCCC(N2CCCC(NC3CC3)C2=O)C1
InChIInChI=1S/C16H28N2O/c1-2-12-5-3-6-14(11-12)18-10-4-7-15(16(18)19)17-13-8-9-13/h12-15,17H,2-11H2,1H3
InChIKeyPWMQQTZQSZCNLJ-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(3-ethylcyclohexyl)piperidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-(3-ethylcyclohexyl)piperidin-2-one (CID 64747595) is 3-(cyclopropylamino)-1-(3-ethylcyclohexyl)piperidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-(3-ethylcyclohexyl)piperidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-(3-ethylcyclohexyl)piperidin-2-one is CCC1CCCC(N2CCCC(NC3CC3)C2=O)C1.
What is the InChIKey of 3-(cyclopropylamino)-1-(3-ethylcyclohexyl)piperidin-2-one?
The InChIKey is PWMQQTZQSZCNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-2-12-5-3-6-14(11-12)18-10-4-7-15(16(18)19)17-13-8-9-13/h12-15,17H,2-11H2,1H3.
What are the key properties of 3-(cyclopropylamino)-1-(3-ethylcyclohexyl)piperidin-2-one?
3-(cyclopropylamino)-1-(3-ethylcyclohexyl)piperidin-2-one has a molecular weight of 264.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(3-ethylcyclohexyl)piperidin-2-one is sourced from PubChem (CID 64747595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).