[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone

C21H30N2O4 — CID 91781820

IUPAC[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
SMILESCOc1ccc(C2(C(=O)N3C[C@H](O)[C@@H](N4CCOCC4)C3)CCCC2)cc1
InChIInChI=1S/C21H30N2O4/c1-26-17-6-4-16(5-7-17)21(8-2-3-9-21)20(25)23-14-18(19(24)15-23)22-10-12-27-13-11-22/h4-7,18-19,24H,2-3,8-15H2,1H3/t18-,19-/m0/s1
InChIKeyZXYOPMSYVFOSPG-OALUTQOASA-N
MW374.48 g/mol
LogP1.41
Rot. Bonds4

About [(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone

[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone (PubChem CID 91781820) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is [(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone.

Molecular Properties

Compound Name[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
PubChem CID91781820
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
SMILESCOc1ccc(C2(C(=O)N3C[C@H](O)[C@@H](N4CCOCC4)C3)CCCC2)cc1
InChIInChI=1S/C21H30N2O4/c1-26-17-6-4-16(5-7-17)21(8-2-3-9-21)20(25)23-14-18(19(24)15-23)22-10-12-27-13-11-22/h4-7,18-19,24H,2-3,8-15H2,1H3/t18-,19-/m0/s1
InChIKeyZXYOPMSYVFOSPG-OALUTQOASA-N
XLogP1.41
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone with MolForge

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Related Compounds

[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 56914468
(2R)-4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]morpholine-2-carboxamide
CID 94370776
[1-(4-chlorophenyl)cyclohexyl]-[(3S,4S)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]methanone
CID 110149106
[1-(4-methoxyphenyl)cyclopentyl]-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
CID 155918880
[6-(hydroxymethyl)-6-methyl-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 166305136
(3S,4S)-3-hydroxy-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-4-propylpiperidine-4-carboxylic acid
CID 162628648
(3S,4S)-1-[1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112624
1-[1-(4-methoxyphenyl)cyclobutanecarbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119792
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 164695618
[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 110108383
tert-butyl 2-[[(3S,4R)-4-hydroxy-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidin-3-yl]-methylamino]acetate
CID 124886296
[1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121147027

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone?
The IUPAC name of [(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone (CID 91781820) is [(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone.
What is the SMILES notation for [(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone?
The canonical SMILES for [(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone is COc1ccc(C2(C(=O)N3C[C@H](O)[C@@H](N4CCOCC4)C3)CCCC2)cc1.
What is the InChIKey of [(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone?
The InChIKey is ZXYOPMSYVFOSPG-OALUTQOASA-N. The full InChI is InChI=1S/C21H30N2O4/c1-26-17-6-4-16(5-7-17)21(8-2-3-9-21)20(25)23-14-18(19(24)15-23)22-10-12-27-13-11-22/h4-7,18-19,24H,2-3,8-15H2,1H3/t18-,19-/m0/s1.
What are the key properties of [(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone?
[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone has a molecular weight of 374.48 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone is sourced from PubChem (CID 91781820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).