3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one

C20H27N3O3 — CID 56710980

IUPAC3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
SMILESCc1noc(C)c1CNCC1(O)CCCN(CCc2ccccc2)C1=O
InChIInChI=1S/C20H27N3O3/c1-15-18(16(2)26-22-15)13-21-14-20(25)10-6-11-23(19(20)24)12-9-17-7-4-3-5-8-17/h3-5,7-8,21,25H,6,9-14H2,1-2H3
InChIKeyDBPTUNCHIRDALM-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.98
Rot. Bonds7

About 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one

3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one (PubChem CID 56710980) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
PubChem CID56710980
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
SMILESCc1noc(C)c1CNCC1(O)CCCN(CCc2ccccc2)C1=O
InChIInChI=1S/C20H27N3O3/c1-15-18(16(2)26-22-15)13-21-14-20(25)10-6-11-23(19(20)24)12-9-17-7-4-3-5-8-17/h3-5,7-8,21,25H,6,9-14H2,1-2H3
InChIKeyDBPTUNCHIRDALM-UHFFFAOYSA-N
XLogP1.98
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one with MolForge

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Related Compounds

(3S)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95221812
3-hydroxy-3-[(2-hydroxyethylamino)methyl]-1-(2-phenylethyl)piperidin-2-one
CID 56701415
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629688
3-hydroxy-1-(2-phenylethyl)-3-[(2-pyrrolidin-1-ylethylamino)methyl]piperidin-2-one
CID 56711538
(3S)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one
CID 95211537
(3R)-3-hydroxy-1-(2-phenylethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one
CID 95211538
(3R)-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 95502535
3-hydroxy-3-[[(5-methylthiophen-2-yl)methylamino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 56714160
(3R)-3-hydroxy-3-[[(5-methylthiophen-2-yl)methylamino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 95207378
(3S)-3-[[2-(furan-2-yl)ethylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 95206186
(3S)-3-hydroxy-3-[[(5-methyl-1H-pyrazol-3-yl)methylamino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 95205613
(3S)-3-hydroxy-1-(2-phenylethyl)-3-[[2-(triazol-1-yl)ethylamino]methyl]piperidin-2-one
CID 95196906

Frequently Asked Questions

What is the IUPAC name of 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one?
The IUPAC name of 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one (CID 56710980) is 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one.
What is the SMILES notation for 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one?
The canonical SMILES for 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one is Cc1noc(C)c1CNCC1(O)CCCN(CCc2ccccc2)C1=O.
What is the InChIKey of 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one?
The InChIKey is DBPTUNCHIRDALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15-18(16(2)26-22-15)13-21-14-20(25)10-6-11-23(19(20)24)12-9-17-7-4-3-5-8-17/h3-5,7-8,21,25H,6,9-14H2,1-2H3.
What are the key properties of 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one?
3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one has a molecular weight of 357.45 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one is sourced from PubChem (CID 56710980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).