(3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one

C17H32N2O2 — CID 42384703

IUPAC(3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one
SMILESCN1CCC[C@@](O)(CNCCC2CCCCCCC2)C1=O
InChIInChI=1S/C17H32N2O2/c1-19-13-7-11-17(21,16(19)20)14-18-12-10-15-8-5-3-2-4-6-9-15/h15,18,21H,2-14H2,1H3/t17-/m1/s1
InChIKeyPUSXXDVCAMUXQR-QGZVFWFLSA-N
MW296.45 g/mol
LogP2.31
Rot. Bonds5

About (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one

(3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one (PubChem CID 42384703) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one
PubChem CID42384703
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name(3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one
SMILESCN1CCC[C@@](O)(CNCCC2CCCCCCC2)C1=O
InChIInChI=1S/C17H32N2O2/c1-19-13-7-11-17(21,16(19)20)14-18-12-10-15-8-5-3-2-4-6-9-15/h15,18,21H,2-14H2,1H3/t17-/m1/s1
InChIKeyPUSXXDVCAMUXQR-QGZVFWFLSA-N
XLogP2.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]-N-methylethanesulfonamide
CID 56739031
1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-hydroxy-1-methylpiperidin-4-yl)methylamino]methyl]piperidin-2-one
CID 56738972
3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one
CID 56748802
1-(2-cyclohexylethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one
CID 45235783
N-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide
CID 95217540
1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one
CID 56741111
1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one
CID 56742524
(3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-[[[4-(hydroxymethyl)phenyl]methylamino]methyl]piperidin-2-one
CID 95205891
1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 45237725
(3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 95212679
1-[(2-cyclohexylethylamino)methyl]cyclobutan-1-ol
CID 115692767
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one
CID 25305646

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one?
The IUPAC name of (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one (CID 42384703) is (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one.
What is the SMILES notation for (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one?
The canonical SMILES for (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one is CN1CCC[C@@](O)(CNCCC2CCCCCCC2)C1=O.
What is the InChIKey of (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one?
The InChIKey is PUSXXDVCAMUXQR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-19-13-7-11-17(21,16(19)20)14-18-12-10-15-8-5-3-2-4-6-9-15/h15,18,21H,2-14H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one?
(3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one has a molecular weight of 296.45 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one is sourced from PubChem (CID 42384703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).