ethyl 4-[[(3R)-3-(5-fluoro-3-methyl-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate

C22H30FN3O3 — CID 71724489

IUPACethyl 4-[[(3R)-3-(5-fluoro-3-methyl-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CC[C@@H](N3C(=O)C(C)c4cc(F)ccc43)C2)CC1
InChIInChI=1S/C22H30FN3O3/c1-3-29-22(28)25-10-6-16(7-11-25)13-24-9-8-18(14-24)26-20-5-4-17(23)12-19(20)15(2)21(26)27/h4-5,12,15-16,18H,3,6-11,13-14H2,1-2H3/t15?,18-/m1/s1
InChIKeyAVMWPQDKXLVNBZ-KPMSDPLLSA-N
MW403.50 g/mol
LogP3.22
Rot. Bonds4

About ethyl 4-[[(3R)-3-(5-fluoro-3-methyl-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate

ethyl 4-[[(3R)-3-(5-fluoro-3-methyl-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate (PubChem CID 71724489) has the molecular formula C22H30FN3O3 and a molecular weight of 403.50 g/mol. Its IUPAC name is ethyl 4-[[(3R)-3-(5-fluoro-3-methyl-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(3R)-3-(5-fluoro-3-methyl-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
PubChem CID71724489
Molecular FormulaC22H30FN3O3
Molecular Weight403.50 g/mol
Exact Mass403.23
IUPAC Nameethyl 4-[[(3R)-3-(5-fluoro-3-methyl-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(CN2CC[C@@H](N3C(=O)C(C)c4cc(F)ccc43)C2)CC1
InChIInChI=1S/C22H30FN3O3/c1-3-29-22(28)25-10-6-16(7-11-25)13-24-9-8-18(14-24)26-20-5-4-17(23)12-19(20)15(2)21(26)27/h4-5,12,15-16,18H,3,6-11,13-14H2,1-2H3/t15?,18-/m1/s1
InChIKeyAVMWPQDKXLVNBZ-KPMSDPLLSA-N
XLogP3.22
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[(3R)-3-(5-fluoro-3-methyl-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl (1S,5S)-3-[[(3S)-3-(5-fluoro-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 71724867
ethyl 4-[[(3R)-3-(2-oxo-3a,4-dihydro-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 163872722
ethyl 4-[[(3S)-3-[(3R)-3-(hydroxymethyl)-3-methyl-2-oxoindol-1-yl]pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 71724516
ethyl 4-[4-[(4-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 113185240
ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 72544272
ethyl 4-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]piperazine-1-carboxylate
CID 107877129
ethyl 4-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]piperidine-1-carboxylate
CID 56917298
ethyl 4-(5-fluoro-2-benzofuran-1-yl)piperidine-1-carboxylate
CID 57173709
ethyl 4-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]piperidine-1-carboxylate
CID 15181465
ethyl 4-[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]piperidine-1-carboxylate
CID 25457872
ethyl 4-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 113185239
ethyl 2-[4-(2,4-difluorophenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 24716098

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(3R)-3-(5-fluoro-3-methyl-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(3R)-3-(5-fluoro-3-methyl-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate (CID 71724489) is ethyl 4-[[(3R)-3-(5-fluoro-3-methyl-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(3R)-3-(5-fluoro-3-methyl-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(3R)-3-(5-fluoro-3-methyl-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(CN2CC[C@@H](N3C(=O)C(C)c4cc(F)ccc43)C2)CC1.
What is the InChIKey of ethyl 4-[[(3R)-3-(5-fluoro-3-methyl-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate?
The InChIKey is AVMWPQDKXLVNBZ-KPMSDPLLSA-N. The full InChI is InChI=1S/C22H30FN3O3/c1-3-29-22(28)25-10-6-16(7-11-25)13-24-9-8-18(14-24)26-20-5-4-17(23)12-19(20)15(2)21(26)27/h4-5,12,15-16,18H,3,6-11,13-14H2,1-2H3/t15?,18-/m1/s1.
What are the key properties of ethyl 4-[[(3R)-3-(5-fluoro-3-methyl-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate?
ethyl 4-[[(3R)-3-(5-fluoro-3-methyl-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate has a molecular weight of 403.50 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(3R)-3-(5-fluoro-3-methyl-2-oxo-3H-indol-1-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 71724489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).