1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone

C16H28N2O3 — CID 154741387

IUPAC1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone
SMILESCC1(O)CCN(C(=O)CC2(N3CCOCC3)CCCC2)C1
InChIInChI=1S/C16H28N2O3/c1-15(20)6-7-17(13-15)14(19)12-16(4-2-3-5-16)18-8-10-21-11-9-18/h20H,2-13H2,1H3
InChIKeyBXVHHAODLFEFSV-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.00
Rot. Bonds3

About 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone

1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone (PubChem CID 154741387) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone
PubChem CID154741387
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone
SMILESCC1(O)CCN(C(=O)CC2(N3CCOCC3)CCCC2)C1
InChIInChI=1S/C16H28N2O3/c1-15(20)6-7-17(13-15)14(19)12-16(4-2-3-5-16)18-8-10-21-11-9-18/h20H,2-13H2,1H3
InChIKeyBXVHHAODLFEFSV-UHFFFAOYSA-N
XLogP1.00
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(methylamino)piperidin-1-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone
CID 119488084
2-(1-morpholin-4-ylcycloheptyl)acetic acid
CID 64527342
2-bromo-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103355718
1-(2,3-dimethylpiperazin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone;dihydrochloride
CID 120571341
1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(1-morpholin-4-ylcyclopentyl)ethanone
CID 95772472
3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355732
2-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]propanoic acid
CID 119348520
(2R)-2-[[2-(1-morpholin-4-ylcyclopentyl)acetyl]amino]propanoic acid
CID 119369700
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone
CID 103726876
bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 150880281
ethyl 2-(4-morpholin-4-yloxan-4-yl)acetate
CID 64528602
2-(1-methyl-3-morpholin-4-ylpyrrolidin-3-yl)acetic acid
CID 64527345

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone?
The IUPAC name of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone (CID 154741387) is 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone?
The canonical SMILES for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone is CC1(O)CCN(C(=O)CC2(N3CCOCC3)CCCC2)C1.
What is the InChIKey of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone?
The InChIKey is BXVHHAODLFEFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(20)6-7-17(13-15)14(19)12-16(4-2-3-5-16)18-8-10-21-11-9-18/h20H,2-13H2,1H3.
What are the key properties of 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone?
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone has a molecular weight of 296.41 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(1-morpholin-4-ylcyclopentyl)ethanone is sourced from PubChem (CID 154741387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).