[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone

C23H28N2O3 — CID 46977364

IUPAC[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccc(C)c(N4CCOCC4)c3)C2)cc1
InChIInChI=1S/C23H28N2O3/c1-17-3-7-20(8-4-17)23(27)9-10-25(16-23)22(26)19-6-5-18(2)21(15-19)24-11-13-28-14-12-24/h3-8,15,27H,9-14,16H2,1-2H3
InChIKeyPHLXGOYQJLNBGL-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.87
Rot. Bonds3

About [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone

[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone (PubChem CID 46977364) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone
PubChem CID46977364
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3ccc(C)c(N4CCOCC4)c3)C2)cc1
InChIInChI=1S/C23H28N2O3/c1-17-3-7-20(8-4-17)23(27)9-10-25(16-23)22(26)19-6-5-18(2)21(15-19)24-11-13-28-14-12-24/h3-8,15,27H,9-14,16H2,1-2H3
InChIKeyPHLXGOYQJLNBGL-UHFFFAOYSA-N
XLogP2.87
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 21367728
(3-chloro-4-pyrrolidin-1-ylphenyl)-(3-hydroxy-3-phenylpyrrolidin-1-yl)methanone
CID 135091372
ethyl 3-hydroxy-3-(4-methylphenyl)pyrrolidine-1-carboxylate
CID 163559510
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110250248
(2S)-6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one
CID 92696424
6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-4H-1,4-benzothiazin-3-one
CID 4572104
(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110365079
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 46974804
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-[1-(4-hydroxyphenyl)cyclopropyl]methanone
CID 166280981
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558
(3,4-dimethylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075364
[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 124944302

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone?
The IUPAC name of [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone (CID 46977364) is [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone?
The canonical SMILES for [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone is Cc1ccc(C2(O)CCN(C(=O)c3ccc(C)c(N4CCOCC4)c3)C2)cc1.
What is the InChIKey of [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone?
The InChIKey is PHLXGOYQJLNBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17-3-7-20(8-4-17)23(27)9-10-25(16-23)22(26)19-6-5-18(2)21(15-19)24-11-13-28-14-12-24/h3-8,15,27H,9-14,16H2,1-2H3.
What are the key properties of [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone?
[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone has a molecular weight of 380.49 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]-(4-methyl-3-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 46977364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).