ethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate

C20H27N3O3 — CID 24969908

IUPACethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(C3C(=O)Nc4ccccc43)CC2)C1
InChIInChI=1S/C20H27N3O3/c1-2-26-20(25)23-12-9-15(13-23)22-10-7-14(8-11-22)18-16-5-3-4-6-17(16)21-19(18)24/h3-6,14-15,18H,2,7-13H2,1H3,(H,21,24)
InChIKeyXPEKEIQTHMSNSQ-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.67
Rot. Bonds3

About ethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate

ethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate (PubChem CID 24969908) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is ethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
PubChem CID24969908
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Nameethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(C3C(=O)Nc4ccccc43)CC2)C1
InChIInChI=1S/C20H27N3O3/c1-2-26-20(25)23-12-9-15(13-23)22-10-7-14(8-11-22)18-16-5-3-4-6-17(16)21-19(18)24/h3-6,14-15,18H,2,7-13H2,1H3,(H,21,24)
InChIKeyXPEKEIQTHMSNSQ-UHFFFAOYSA-N
XLogP2.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate
CID 98060720
(3S)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 95968551
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 110710761
ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969821
4-oxo-4-[3-(2-oxo-1,3-dihydroindol-3-yl)pyrrolidin-1-yl]butanoic acid
CID 134076449
ethyl (3S)-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 59403066
3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154747405
ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate
CID 24770902
3-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 120988636
ethyl 4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 67600592
ethyl (10R,15S)-3-oxo-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene-12-carboxylate
CID 20578971
ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate (CID 24969908) is ethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC(C3C(=O)Nc4ccccc43)CC2)C1.
What is the InChIKey of ethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate?
The InChIKey is XPEKEIQTHMSNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-26-20(25)23-12-9-15(13-23)22-10-7-14(8-11-22)18-16-5-3-4-6-17(16)21-19(18)24/h3-6,14-15,18H,2,7-13H2,1H3,(H,21,24).
What are the key properties of ethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate?
ethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate has a molecular weight of 357.45 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 24969908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).