(1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone

C19H25N3O2 — CID 110108182

IUPAC(1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)c2ccccc21
InChIInChI=1S/C19H25N3O2/c1-2-20-11-15(14-7-3-4-8-16(14)20)19(24)22-12-17(18(23)13-22)21-9-5-6-10-21/h3-4,7-8,11,17-18,23H,2,5-6,9-10,12-13H2,1H3/t17-,18-/m1/s1
InChIKeyDDSMEAWVJMTRGW-QZTJIDSGSA-N
MW327.43 g/mol
LogP1.94
Rot. Bonds3

About (1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone

(1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone (PubChem CID 110108182) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
PubChem CID110108182
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)c2ccccc21
InChIInChI=1S/C19H25N3O2/c1-2-20-11-15(14-7-3-4-8-16(14)20)19(24)22-12-17(18(23)13-22)21-9-5-6-10-21/h3-4,7-8,11,17-18,23H,2,5-6,9-10,12-13H2,1H3/t17-,18-/m1/s1
InChIKeyDDSMEAWVJMTRGW-QZTJIDSGSA-N
XLogP1.94
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carbonyl]-1-methylquinolin-4-one
CID 91840033
(1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 96997373
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone
CID 138009191
(1-ethylindol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606910
(3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 110900774
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone
CID 110104217
(1-ethylindol-3-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110159825
[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(1-methylindol-3-yl)methanone
CID 29088018
2-(benzimidazol-1-yl)-1-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
CID 91779865
[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 135120214
(1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 112798203

Frequently Asked Questions

What is the IUPAC name of (1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone (CID 110108182) is (1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone is CCn1cc(C(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)c2ccccc21.
What is the InChIKey of (1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The InChIKey is DDSMEAWVJMTRGW-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-20-11-15(14-7-3-4-8-16(14)20)19(24)22-12-17(18(23)13-22)21-9-5-6-10-21/h3-4,7-8,11,17-18,23H,2,5-6,9-10,12-13H2,1H3/t17-,18-/m1/s1.
What are the key properties of (1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
(1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylindol-3-yl)-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 110108182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).