(3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one

C16H25N3O2S — CID 42565885

IUPAC(3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one
SMILESCN(Cc1nccs1)C[C@]1(O)CCCN(CC2CCC2)C1=O
InChIInChI=1S/C16H25N3O2S/c1-18(11-14-17-7-9-22-14)12-16(21)6-3-8-19(15(16)20)10-13-4-2-5-13/h7,9,13,21H,2-6,8,10-12H2,1H3/t16-/m1/s1
InChIKeyUWLJSHKSHCYSQA-MRXNPFEDSA-N
MW323.46 g/mol
LogP1.73
Rot. Bonds6

About (3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one

(3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one (PubChem CID 42565885) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one
PubChem CID42565885
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one
SMILESCN(Cc1nccs1)C[C@]1(O)CCCN(CC2CCC2)C1=O
InChIInChI=1S/C16H25N3O2S/c1-18(11-14-17-7-9-22-14)12-16(21)6-3-8-19(15(16)20)10-13-4-2-5-13/h7,9,13,21H,2-6,8,10-12H2,1H3/t16-/m1/s1
InChIKeyUWLJSHKSHCYSQA-MRXNPFEDSA-N
XLogP1.73
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one with MolForge

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Related Compounds

(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one
CID 26330916
methyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate
CID 45251710
(3R)-1-(cyclopropylmethyl)-3-hydroxy-3-[[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]methyl]piperidin-2-one
CID 25493591
1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one
CID 45219362
(3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one
CID 42213735
3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one
CID 56739653
(3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one
CID 26327978
7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72844843
1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]piperidin-2-one
CID 45200661
1-(2-cyclohexylethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one
CID 56742880
3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one
CID 56741681
(3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]methyl]piperidin-2-one
CID 95207996

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one?
The IUPAC name of (3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one (CID 42565885) is (3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one.
What is the SMILES notation for (3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one?
The canonical SMILES for (3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one is CN(Cc1nccs1)C[C@]1(O)CCCN(CC2CCC2)C1=O.
What is the InChIKey of (3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one?
The InChIKey is UWLJSHKSHCYSQA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-18(11-14-17-7-9-22-14)12-16(21)6-3-8-19(15(16)20)10-13-4-2-5-13/h7,9,13,21H,2-6,8,10-12H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one?
(3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one has a molecular weight of 323.46 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 42565885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).