3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide

C19H25FN2O4 — CID 91954491

IUPAC3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)COC(C(=O)NCC2(CO)CCCC2)C1c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O4/c1-22-15(24)10-26-17(16(22)13-4-6-14(20)7-5-13)18(25)21-11-19(12-23)8-2-3-9-19/h4-7,16-17,23H,2-3,8-12H2,1H3,(H,21,25)
InChIKeyMUJYEFBTUTZZPM-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.39
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide

3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide (PubChem CID 91954491) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide
PubChem CID91954491
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC Name3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)COC(C(=O)NCC2(CO)CCCC2)C1c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O4/c1-22-15(24)10-26-17(16(22)13-4-6-14(20)7-5-13)18(25)21-11-19(12-23)8-2-3-9-19/h4-7,16-17,23H,2-3,8-12H2,1H3,(H,21,25)
InChIKeyMUJYEFBTUTZZPM-UHFFFAOYSA-N
XLogP1.39
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 91957461
3-(2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 91954385
(2S,3R)-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457517
3-(4-fluorophenyl)-4-methyl-N-(2-methylpropyl)-5-oxomorpholine-2-carboxamide
CID 75361012
(2S,3R)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 124882824
4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide
CID 91957637
(2R,3R)-3-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457503
(2R,3S)-N-cyclohexyl-3-(4-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457540
(2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457319
(2S,3R)-3-(4-fluorophenyl)-N,N,4-trimethyl-5-oxomorpholine-2-carboxamide
CID 97457525
(5S,6S)-5-(4-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
CID 97457645
N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 56730602

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide (CID 91954491) is 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide is CN1C(=O)COC(C(=O)NCC2(CO)CCCC2)C1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide?
The InChIKey is MUJYEFBTUTZZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c1-22-15(24)10-26-17(16(22)13-4-6-14(20)7-5-13)18(25)21-11-19(12-23)8-2-3-9-19/h4-7,16-17,23H,2-3,8-12H2,1H3,(H,21,25).
What are the key properties of 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide?
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 91954491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).