(3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one

C17H32N2O2 — CID 26327978

IUPAC(3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one
SMILESCCN(CC)C[C@]1(O)CCCN(CC2CCCCC2)C1=O
InChIInChI=1S/C17H32N2O2/c1-3-18(4-2)14-17(21)11-8-12-19(16(17)20)13-15-9-6-5-7-10-15/h15,21H,3-14H2,1-2H3/t17-/m1/s1
InChIKeySOGDKJNLBXYUPG-QGZVFWFLSA-N
MW296.45 g/mol
LogP2.26
Rot. Bonds6

About (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one

(3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one (PubChem CID 26327978) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one
PubChem CID26327978
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name(3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one
SMILESCCN(CC)C[C@]1(O)CCCN(CC2CCCCC2)C1=O
InChIInChI=1S/C17H32N2O2/c1-3-18(4-2)14-17(21)11-8-12-19(16(17)20)13-15-9-6-5-7-10-15/h15,21H,3-14H2,1-2H3/t17-/m1/s1
InChIKeySOGDKJNLBXYUPG-QGZVFWFLSA-N
XLogP2.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one
CID 45219362
1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 45237725
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
CID 29021771
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one
CID 25305646
methyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate
CID 45251710
(3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one
CID 42363388
3-[(cyclobutylamino)methyl]-1-(cyclohexylmethyl)-3-hydroxypiperidin-2-one
CID 45201622
1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]piperidin-2-one
CID 45200661
4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one
CID 45208360
(3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one
CID 42565885
1-(cyclohexylmethyl)-3-hydroxy-3-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]methyl]piperidin-2-one
CID 45203879
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[[2-(3-methylthiophen-2-yl)ethylamino]methyl]piperidin-2-one
CID 95198454

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one?
The IUPAC name of (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one (CID 26327978) is (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one.
What is the SMILES notation for (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one?
The canonical SMILES for (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one is CCN(CC)C[C@]1(O)CCCN(CC2CCCCC2)C1=O.
What is the InChIKey of (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one?
The InChIKey is SOGDKJNLBXYUPG-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-18(4-2)14-17(21)11-8-12-19(16(17)20)13-15-9-6-5-7-10-15/h15,21H,3-14H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one?
(3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one has a molecular weight of 296.45 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one is sourced from PubChem (CID 26327978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).