[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone

C17H21N3O3 — CID 110108358

IUPAC[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1C[C@@H](O)[C@H](N2CCOCC2)C1
InChIInChI=1S/C17H21N3O3/c21-16-11-20(10-15(16)19-5-7-23-8-6-19)17(22)14-9-12-3-1-2-4-13(12)18-14/h1-4,9,15-16,18,21H,5-8,10-11H2/t15-,16-/m1/s1
InChIKeyIZIRLNWLFDUZQR-HZPDHXFCSA-N
MW315.37 g/mol
LogP0.69
Rot. Bonds2

About [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone

[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 110108358) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID110108358
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1C[C@@H](O)[C@H](N2CCOCC2)C1
InChIInChI=1S/C17H21N3O3/c21-16-11-20(10-15(16)19-5-7-23-8-6-19)17(22)14-9-12-3-1-2-4-13(12)18-14/h1-4,9,15-16,18,21H,5-8,10-11H2/t15-,16-/m1/s1
InChIKeyIZIRLNWLFDUZQR-HZPDHXFCSA-N
XLogP0.69
TPSA68.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
(4-chlorophenyl)-[4-[4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]methanone
CID 68515898
(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
(2-fluorophenyl)-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 110108209
[(4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)azepan-1-yl]-(1H-indol-2-yl)methanone
CID 110128506
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 56865341
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 110108296
N-morpholin-4-yl-1H-indole-2-carboxamide
CID 78908081
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 62349587
[3-(difluoromethoxy)phenyl]-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 91759745

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone (CID 110108358) is [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1C[C@@H](O)[C@H](N2CCOCC2)C1.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is IZIRLNWLFDUZQR-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-16-11-20(10-15(16)19-5-7-23-8-6-19)17(22)14-9-12-3-1-2-4-13(12)18-14/h1-4,9,15-16,18,21H,5-8,10-11H2/t15-,16-/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone?
[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 315.37 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 110108358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).