3-(cyclopropylamino)-1-(3,5-dimethylcyclohexyl)piperidin-2-one

C16H28N2O — CID 64731740

IUPAC3-(cyclopropylamino)-1-(3,5-dimethylcyclohexyl)piperidin-2-one
SMILESCC1CC(C)CC(N2CCCC(NC3CC3)C2=O)C1
InChIInChI=1S/C16H28N2O/c1-11-8-12(2)10-14(9-11)18-7-3-4-15(16(18)19)17-13-5-6-13/h11-15,17H,3-10H2,1-2H3
InChIKeyGAOIJDNIMLGSRS-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.55
Rot. Bonds3

About 3-(cyclopropylamino)-1-(3,5-dimethylcyclohexyl)piperidin-2-one

3-(cyclopropylamino)-1-(3,5-dimethylcyclohexyl)piperidin-2-one (PubChem CID 64731740) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(3,5-dimethylcyclohexyl)piperidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(3,5-dimethylcyclohexyl)piperidin-2-one
PubChem CID64731740
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-(cyclopropylamino)-1-(3,5-dimethylcyclohexyl)piperidin-2-one
SMILESCC1CC(C)CC(N2CCCC(NC3CC3)C2=O)C1
InChIInChI=1S/C16H28N2O/c1-11-8-12(2)10-14(9-11)18-7-3-4-15(16(18)19)17-13-5-6-13/h11-15,17H,3-10H2,1-2H3
InChIKeyGAOIJDNIMLGSRS-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(3,5-dimethylcyclohexyl)piperidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-(3,5-dimethylcyclohexyl)piperidin-2-one (CID 64731740) is 3-(cyclopropylamino)-1-(3,5-dimethylcyclohexyl)piperidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-(3,5-dimethylcyclohexyl)piperidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-(3,5-dimethylcyclohexyl)piperidin-2-one is CC1CC(C)CC(N2CCCC(NC3CC3)C2=O)C1.
What is the InChIKey of 3-(cyclopropylamino)-1-(3,5-dimethylcyclohexyl)piperidin-2-one?
The InChIKey is GAOIJDNIMLGSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11-8-12(2)10-14(9-11)18-7-3-4-15(16(18)19)17-13-5-6-13/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 3-(cyclopropylamino)-1-(3,5-dimethylcyclohexyl)piperidin-2-one?
3-(cyclopropylamino)-1-(3,5-dimethylcyclohexyl)piperidin-2-one has a molecular weight of 264.41 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(3,5-dimethylcyclohexyl)piperidin-2-one is sourced from PubChem (CID 64731740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).