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

C20H33N3O3 — CID 56743472

IUPAC1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]piperidin-2-one
SMILESCc1cc(CN(C)CC2(O)CCCN(CCC3CCCCC3)C2=O)no1
InChIInChI=1S/C20H33N3O3/c1-16-13-18(21-26-16)14-22(2)15-20(25)10-6-11-23(19(20)24)12-9-17-7-4-3-5-8-17/h13,17,25H,3-12,14-15H2,1-2H3
InChIKeyKLHMXRQGFIPOBO-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.74
Rot. Bonds7

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

1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]piperidin-2-one (PubChem CID 56743472) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]piperidin-2-one
PubChem CID56743472
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]piperidin-2-one
SMILESCc1cc(CN(C)CC2(O)CCCN(CCC3CCCCC3)C2=O)no1
InChIInChI=1S/C20H33N3O3/c1-16-13-18(21-26-16)14-22(2)15-20(25)10-6-11-23(19(20)24)12-9-17-7-4-3-5-8-17/h13,17,25H,3-12,14-15H2,1-2H3
InChIKeyKLHMXRQGFIPOBO-UHFFFAOYSA-N
XLogP2.74
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]piperidin-2-one?
The IUPAC name of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]piperidin-2-one (CID 56743472) is 1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]piperidin-2-one.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]piperidin-2-one?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]piperidin-2-one is Cc1cc(CN(C)CC2(O)CCCN(CCC3CCCCC3)C2=O)no1.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]piperidin-2-one?
The InChIKey is KLHMXRQGFIPOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-16-13-18(21-26-16)14-22(2)15-20(25)10-6-11-23(19(20)24)12-9-17-7-4-3-5-8-17/h13,17,25H,3-12,14-15H2,1-2H3.
What are the key properties of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]piperidin-2-one?
1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]piperidin-2-one has a molecular weight of 363.50 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]piperidin-2-one is sourced from PubChem (CID 56743472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).