[2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone

C17H23NO3 — CID 81196589

IUPAC[2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
SMILESO=C(N1CCOC(CO)C1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H23NO3/c19-13-15-12-18(10-11-21-15)16(20)17(8-4-5-9-17)14-6-2-1-3-7-14/h1-3,6-7,15,19H,4-5,8-13H2
InChIKeyRFLSZLXNTZTOKX-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.72
Rot. Bonds3

About [2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone

[2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone (PubChem CID 81196589) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is [2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
PubChem CID81196589
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name[2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
SMILESO=C(N1CCOC(CO)C1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C17H23NO3/c19-13-15-12-18(10-11-21-15)16(20)17(8-4-5-9-17)14-6-2-1-3-7-14/h1-3,6-7,15,19H,4-5,8-13H2
InChIKeyRFLSZLXNTZTOKX-UHFFFAOYSA-N
XLogP1.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclohexyl)methanone
CID 70723981
2-[4-[1-(3-chlorophenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 119248198
2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid
CID 124702479
[1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203715
morpholin-4-yl-[1-(1-phenylcyclobutanecarbonyl)piperidin-3-yl]methanone
CID 56807476
2-[(2R)-4-[1-(2-methylphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 99607585
(1-aminocyclohexyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone;hydrochloride
CID 119322376
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 119240020
[2-(1-aminoethyl)morpholin-4-yl]-(1-phenylcyclopropyl)methanone
CID 81483906
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 119541574
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
CID 110105302
2-[4-[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 120527779

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone?
The IUPAC name of [2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone (CID 81196589) is [2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone?
The canonical SMILES for [2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone is O=C(N1CCOC(CO)C1)C1(c2ccccc2)CCCC1.
What is the InChIKey of [2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone?
The InChIKey is RFLSZLXNTZTOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-13-15-12-18(10-11-21-15)16(20)17(8-4-5-9-17)14-6-2-1-3-7-14/h1-3,6-7,15,19H,4-5,8-13H2.
What are the key properties of [2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone?
[2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone has a molecular weight of 289.37 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone is sourced from PubChem (CID 81196589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).