1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]piperidin-2-one

C21H39N3O2 — CID 45200661

IUPAC1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]piperidin-2-one
SMILESCN(CC1(O)CCCN(CC2CCC2)C1=O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H39N3O2/c1-19(2)12-17(13-20(3,4)22-19)23(5)15-21(26)10-7-11-24(18(21)25)14-16-8-6-9-16/h16-17,22,26H,6-15H2,1-5H3
InChIKeyHIGKKNOXALQNAW-UHFFFAOYSA-N
MW365.56 g/mol
LogP2.38
Rot. Bonds5

About 1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]piperidin-2-one

1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]piperidin-2-one (PubChem CID 45200661) has the molecular formula C21H39N3O2 and a molecular weight of 365.56 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]piperidin-2-one
PubChem CID45200661
Molecular FormulaC21H39N3O2
Molecular Weight365.56 g/mol
Exact Mass365.30
IUPAC Name1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]piperidin-2-one
SMILESCN(CC1(O)CCCN(CC2CCC2)C1=O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H39N3O2/c1-19(2)12-17(13-20(3,4)22-19)23(5)15-21(26)10-7-11-24(18(21)25)14-16-8-6-9-16/h16-17,22,26H,6-15H2,1-5H3
InChIKeyHIGKKNOXALQNAW-UHFFFAOYSA-N
XLogP2.38
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.56
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]piperidin-2-one with MolForge

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Related Compounds

1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one
CID 45219362
methyl 2-[[1-(cyclobutylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl-methylamino]acetate
CID 45251710
(3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one
CID 26327978
(3R)-1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]piperidin-2-one
CID 42565885
1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 45237725
(3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one
CID 42363388
3-[(cyclobutylamino)methyl]-1-(cyclohexylmethyl)-3-hydroxypiperidin-2-one
CID 45201622
4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one
CID 45208360
3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 45174681
(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
(3R)-1-(cyclobutylmethyl)-3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 95210595

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]piperidin-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]piperidin-2-one (CID 45200661) is 1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]piperidin-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]piperidin-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]piperidin-2-one is CN(CC1(O)CCCN(CC2CCC2)C1=O)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]piperidin-2-one?
The InChIKey is HIGKKNOXALQNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O2/c1-19(2)12-17(13-20(3,4)22-19)23(5)15-21(26)10-7-11-24(18(21)25)14-16-8-6-9-16/h16-17,22,26H,6-15H2,1-5H3.
What are the key properties of 1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]piperidin-2-one?
1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]piperidin-2-one has a molecular weight of 365.56 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-hydroxy-3-[[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 45200661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).