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

C21H29N3O3 — CID 67600592

IUPACethyl 4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-4-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C2(C3C(=O)Nc4ccccc43)CCNCC2)CC1
InChIInChI=1S/C21H29N3O3/c1-2-27-20(26)24-13-7-15(8-14-24)21(9-11-22-12-10-21)18-16-5-3-4-6-17(16)23-19(18)25/h3-6,15,18,22H,2,7-14H2,1H3,(H,23,25)
InChIKeyHMNLEWWQSSOOCR-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.96
Rot. Bonds3

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

ethyl 4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-4-yl]piperidine-1-carboxylate (PubChem CID 67600592) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is ethyl 4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-4-yl]piperidine-1-carboxylate
PubChem CID67600592
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Nameethyl 4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-4-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C2(C3C(=O)Nc4ccccc43)CCNCC2)CC1
InChIInChI=1S/C21H29N3O3/c1-2-27-20(26)24-13-7-15(8-14-24)21(9-11-22-12-10-21)18-16-5-3-4-6-17(16)23-19(18)25/h3-6,15,18,22H,2,7-14H2,1H3,(H,23,25)
InChIKeyHMNLEWWQSSOOCR-UHFFFAOYSA-N
XLogP2.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

ethyl 3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969908
ethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 110209725
diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate
CID 11460508
ethyl 4-[2-(4-methylphenyl)sulfanylphenyl]piperidine-1-carboxylate;4-[2-(4-methylphenyl)sulfanylphenyl]piperidine;hydrobromide
CID 161160599
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 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate
CID 40515300
3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110694583
tert-butyl (3R)-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]pyrrolidine-1-carboxylate
CID 98060720
ethyl 2,8-diazaspiro[4.5]decane-2-carboxylate;ethyl 8-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate;methane;spiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 159394805
ethane;ethyl pyrrolidine-1-carboxylate;piperidin-4-one
CID 143592038
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
ethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate
CID 56893622

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-4-yl]piperidine-1-carboxylate (CID 67600592) is ethyl 4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-4-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C2(C3C(=O)Nc4ccccc43)CCNCC2)CC1.
What is the InChIKey of ethyl 4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-4-yl]piperidine-1-carboxylate?
The InChIKey is HMNLEWWQSSOOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-2-27-20(26)24-13-7-15(8-14-24)21(9-11-22-12-10-21)18-16-5-3-4-6-17(16)23-19(18)25/h3-6,15,18,22H,2,7-14H2,1H3,(H,23,25).
What are the key properties of ethyl 4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-4-yl]piperidine-1-carboxylate?
ethyl 4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-4-yl]piperidine-1-carboxylate has a molecular weight of 371.48 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 67600592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).