1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one

C17H29N3O3 — CID 45222079

IUPAC1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one
SMILESCc1cc(CN(C)CC2(O)CCCN(CC(C)(C)C)C2=O)on1
InChIInChI=1S/C17H29N3O3/c1-13-9-14(23-18-13)10-19(5)12-17(22)7-6-8-20(15(17)21)11-16(2,3)4/h9,22H,6-8,10-12H2,1-5H3
InChIKeyCCEQQUWUPMNJAY-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.81
Rot. Bonds5

About 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one

1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one (PubChem CID 45222079) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one
PubChem CID45222079
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one
SMILESCc1cc(CN(C)CC2(O)CCCN(CC(C)(C)C)C2=O)on1
InChIInChI=1S/C17H29N3O3/c1-13-9-14(23-18-13)10-19(5)12-17(22)7-6-8-20(15(17)21)11-16(2,3)4/h9,22H,6-8,10-12H2,1-5H3
InChIKeyCCEQQUWUPMNJAY-UHFFFAOYSA-N
XLogP1.81
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one with MolForge

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Related Compounds

1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one
CID 45245861
(3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
CID 42595185
(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]piperidin-2-one
CID 95194355
3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 45244658
1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]piperidin-2-one
CID 45247476
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]piperidin-2-one
CID 25286305
(3S)-3-hydroxy-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95200644
(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(1,2-oxazol-3-ylmethylamino)methyl]piperidin-2-one
CID 42527454
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one
CID 95191384
1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
CID 45240042
N'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686290
1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]methyl]piperidin-2-one
CID 56706340

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one (CID 45222079) is 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one is Cc1cc(CN(C)CC2(O)CCCN(CC(C)(C)C)C2=O)on1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one?
The InChIKey is CCEQQUWUPMNJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-13-9-14(23-18-13)10-19(5)12-17(22)7-6-8-20(15(17)21)11-16(2,3)4/h9,22H,6-8,10-12H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one?
1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one has a molecular weight of 323.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one is sourced from PubChem (CID 45222079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).