(4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone

C15H21N3O3 — CID 107075249

IUPAC(4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(N3CCOCC3)C2)cc1O
InChIInChI=1S/C15H21N3O3/c16-13-2-1-11(9-14(13)19)15(20)18-4-3-12(10-18)17-5-7-21-8-6-17/h1-2,9,12,19H,3-8,10,16H2
InChIKeyLUPZHWPLOPWERX-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.52
Rot. Bonds2

About (4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone

(4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 107075249) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
PubChem CID107075249
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(N3CCOCC3)C2)cc1O
InChIInChI=1S/C15H21N3O3/c16-13-2-1-11(9-14(13)19)15(20)18-4-3-12(10-18)17-5-7-21-8-6-17/h1-2,9,12,19H,3-8,10,16H2
InChIKeyLUPZHWPLOPWERX-UHFFFAOYSA-N
XLogP0.52
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3-hydroxyphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 107075245
(4-bromo-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 103873505
(4-amino-3-hydroxyphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 107075598
[4-(aminomethyl)phenyl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119858151
(4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 158649732
(2-aminophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119946729
(5-amino-2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63168260
(5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63167995
(4-hydroxy-3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 103951868
(4-amino-1H-pyrazol-5-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63168261
(4-methylphenyl)-(3-morpholin-4-ylpiperidin-1-yl)methanone
CID 121451758
(4-amino-3-hydroxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 113228287

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone (CID 107075249) is (4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is Nc1ccc(C(=O)N2CCC(N3CCOCC3)C2)cc1O.
What is the InChIKey of (4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is LUPZHWPLOPWERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-13-2-1-11(9-14(13)19)15(20)18-4-3-12(10-18)17-5-7-21-8-6-17/h1-2,9,12,19H,3-8,10,16H2.
What are the key properties of (4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone?
(4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 291.35 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-hydroxyphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 107075249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).