1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one

C12H22N2O3 — CID 79389678

IUPAC1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one
SMILESCN(CC(=O)N1CCC(=O)CC1)CC(C)(C)O
InChIInChI=1S/C12H22N2O3/c1-12(2,17)9-13(3)8-11(16)14-6-4-10(15)5-7-14/h17H,4-9H2,1-3H3
InChIKeyDJPGMOOTZXTASX-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.12
Rot. Bonds4

About 1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one

1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one (PubChem CID 79389678) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one
PubChem CID79389678
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one
SMILESCN(CC(=O)N1CCC(=O)CC1)CC(C)(C)O
InChIInChI=1S/C12H22N2O3/c1-12(2,17)9-13(3)8-11(16)14-6-4-10(15)5-7-14/h17H,4-9H2,1-3H3
InChIKeyDJPGMOOTZXTASX-UHFFFAOYSA-N
XLogP-0.12
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
CID 79004856
1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-one
CID 60683935
1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetyl]piperidin-4-one
CID 79318665
1-[2-[cyclohexyl(methyl)amino]acetyl]piperidin-4-one
CID 43229388
1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one
CID 60912714
1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one
CID 60692160
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591
1-[2-[bis(2-hydroxyethyl)amino]acetyl]piperidin-4-one
CID 60686436
1-[2-[ethyl(2-ethylbutyl)amino]acetyl]piperidin-4-one
CID 61437890
1-[2-[methyl(oxan-3-ylmethyl)amino]acetyl]piperidin-4-one
CID 63712793
1-propanoylazepan-4-one
CID 18675736

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one?
The IUPAC name of 1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one (CID 79389678) is 1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one is CN(CC(=O)N1CCC(=O)CC1)CC(C)(C)O.
What is the InChIKey of 1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one?
The InChIKey is DJPGMOOTZXTASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,17)9-13(3)8-11(16)14-6-4-10(15)5-7-14/h17H,4-9H2,1-3H3.
What are the key properties of 1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one?
1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one has a molecular weight of 242.32 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]piperidin-4-one is sourced from PubChem (CID 79389678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).