[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone

C14H20N2O3 — CID 110107932

IUPAC[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2C[C@@H](O)[C@H](N(C)C)C2)cc1
InChIInChI=1S/C14H20N2O3/c1-15(2)12-8-16(9-13(12)17)14(18)10-4-6-11(19-3)7-5-10/h4-7,12-13,17H,8-9H2,1-3H3/t12-,13-/m1/s1
InChIKeyNWQFZFIYBPKSOT-CHWSQXEVSA-N
MW264.32 g/mol
LogP0.44
Rot. Bonds3

About [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone

[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 110107932) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID110107932
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2C[C@@H](O)[C@H](N(C)C)C2)cc1
InChIInChI=1S/C14H20N2O3/c1-15(2)12-8-16(9-13(12)17)14(18)10-4-6-11(19-3)7-5-10/h4-7,12-13,17H,8-9H2,1-3H3/t12-,13-/m1/s1
InChIKeyNWQFZFIYBPKSOT-CHWSQXEVSA-N
XLogP0.44
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone
CID 143566015
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110107956
[(3R,4R)-3-hydroxy-4-[methyl(pyrazin-2-ylmethyl)amino]pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 133129004
[(3S,4S)-3-hydroxy-4-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 45221109
[3-(4-methoxyphenoxy)azetidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 134791197
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 106671585
2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid
CID 116680825
[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 156606417
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[3,5-bis(trifluoromethyl)phenyl]-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone
CID 91774461
(5-chloro-2-methoxyphenyl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone
CID 91783571
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
CID 71927992

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone (CID 110107932) is [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2C[C@@H](O)[C@H](N(C)C)C2)cc1.
What is the InChIKey of [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is NWQFZFIYBPKSOT-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15(2)12-8-16(9-13(12)17)14(18)10-4-6-11(19-3)7-5-10/h4-7,12-13,17H,8-9H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone?
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 264.32 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 110107932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).