1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]methyl]piperidin-2-one

C20H33N3O3 — CID 56706340

IUPAC1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]methyl]piperidin-2-one
SMILESCOc1nc(C)cc(C)c1CNCC1(O)CCCN(CC(C)(C)C)C1=O
InChIInChI=1S/C20H33N3O3/c1-14-10-15(2)22-17(26-6)16(14)11-21-12-20(25)8-7-9-23(18(20)24)13-19(3,4)5/h10,21,25H,7-9,11-13H2,1-6H3
InChIKeyFXHRLWSIURDBEL-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.20
Rot. Bonds6

About 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]methyl]piperidin-2-one

1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]methyl]piperidin-2-one (PubChem CID 56706340) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]methyl]piperidin-2-one
PubChem CID56706340
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]methyl]piperidin-2-one
SMILESCOc1nc(C)cc(C)c1CNCC1(O)CCCN(CC(C)(C)C)C1=O
InChIInChI=1S/C20H33N3O3/c1-14-10-15(2)22-17(26-6)16(14)11-21-12-20(25)8-7-9-23(18(20)24)13-19(3,4)5/h10,21,25H,7-9,11-13H2,1-6H3
InChIKeyFXHRLWSIURDBEL-UHFFFAOYSA-N
XLogP2.20
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]methyl]piperidin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]methyl]piperidin-2-one (CID 56706340) is 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]methyl]piperidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]methyl]piperidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]methyl]piperidin-2-one is COc1nc(C)cc(C)c1CNCC1(O)CCCN(CC(C)(C)C)C1=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]methyl]piperidin-2-one?
The InChIKey is FXHRLWSIURDBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-14-10-15(2)22-17(26-6)16(14)11-21-12-20(25)8-7-9-23(18(20)24)13-19(3,4)5/h10,21,25H,7-9,11-13H2,1-6H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]methyl]piperidin-2-one?
1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]methyl]piperidin-2-one has a molecular weight of 363.50 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-hydroxy-3-[[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylamino]methyl]piperidin-2-one is sourced from PubChem (CID 56706340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).