2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone

C18H25NO3 — CID 111540812

IUPAC2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CC2(O)CCCC2)C(c2ccccc2)CO1
InChIInChI=1S/C18H25NO3/c1-14-12-19(17(20)11-18(21)9-5-6-10-18)16(13-22-14)15-7-3-2-4-8-15/h2-4,7-8,14,16,21H,5-6,9-13H2,1H3
InChIKeyMKYKIYKLRVMOHB-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.67
Rot. Bonds3

About 2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone

2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone (PubChem CID 111540812) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
PubChem CID111540812
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CC2(O)CCCC2)C(c2ccccc2)CO1
InChIInChI=1S/C18H25NO3/c1-14-12-19(17(20)11-18(21)9-5-6-10-18)16(13-22-14)15-7-3-2-4-8-15/h2-4,7-8,14,16,21H,5-6,9-13H2,1H3
InChIKeyMKYKIYKLRVMOHB-UHFFFAOYSA-N
XLogP2.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone (CID 111540812) is 2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone is CC1CN(C(=O)CC2(O)CCCC2)C(c2ccccc2)CO1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone?
The InChIKey is MKYKIYKLRVMOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14-12-19(17(20)11-18(21)9-5-6-10-18)16(13-22-14)15-7-3-2-4-8-15/h2-4,7-8,14,16,21H,5-6,9-13H2,1H3.
What are the key properties of 2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone?
2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone has a molecular weight of 303.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone is sourced from PubChem (CID 111540812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).