[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone

C18H25N3O3 — CID 138005082

IUPAC[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone
SMILESCOCCn1c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc2ccccc21
InChIInChI=1S/C18H25N3O3/c1-19(2)16-11-20(12-17(16)22)18(23)15-10-13-6-4-5-7-14(13)21(15)8-9-24-3/h4-7,10,16-17,22H,8-9,11-12H2,1-3H3/t16-,17-/m0/s1
InChIKeyMRQDKXGNDLLWAU-IRXDYDNUSA-N
MW331.42 g/mol
LogP1.03
Rot. Bonds5

About [(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone

[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone (PubChem CID 138005082) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is [(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone.

Molecular Properties

Compound Name[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone
PubChem CID138005082
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone
SMILESCOCCn1c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc2ccccc21
InChIInChI=1S/C18H25N3O3/c1-19(2)16-11-20(12-17(16)22)18(23)15-10-13-6-4-5-7-14(13)21(15)8-9-24-3/h4-7,10,16-17,22H,8-9,11-12H2,1-3H3/t16-,17-/m0/s1
InChIKeyMRQDKXGNDLLWAU-IRXDYDNUSA-N
XLogP1.03
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone with MolForge

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Related Compounds

[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone
CID 163426764
9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3,5,7,17,19-hexaen-15-yl-[1-(2-methoxyethyl)indol-2-yl]methanone
CID 110064957
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 110107932
N-benzyl-1-(1-benzylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-(1-ethynylindole-2-carbonyl)-N-methylpiperidine-4-carboxamide;N-benzyl-1-[1-(2-methoxyethyl)indole-2-carbonyl]-N-methylpiperidine-4-carboxamide;N-benzyl-N-methyl-1-[1-[(4-methylphenyl)methyl]indole-2-carbonyl]piperidine-4-carboxamide
CID 157285190
[4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone
CID 10982482
N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide
CID 71701813
1-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one
CID 110107960
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone
CID 52528847
[(1S,2S,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone
CID 154808917
[(1R,2S,9R,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone
CID 124938983
[1-(2-methoxyethyl)indol-2-yl]-[7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
CID 59605111
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 73440059

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone?
The IUPAC name of [(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone (CID 138005082) is [(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone.
What is the SMILES notation for [(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone?
The canonical SMILES for [(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone is COCCn1c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc2ccccc21.
What is the InChIKey of [(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone?
The InChIKey is MRQDKXGNDLLWAU-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-19(2)16-11-20(12-17(16)22)18(23)15-10-13-6-4-5-7-14(13)21(15)8-9-24-3/h4-7,10,16-17,22H,8-9,11-12H2,1-3H3/t16-,17-/m0/s1.
What are the key properties of [(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone?
[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone has a molecular weight of 331.42 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone is sourced from PubChem (CID 138005082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).