[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate

C27H32N2O6 — CID 42975907

IUPAC[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
SMILESCCOc1cc(C(=O)OC(C)C(=O)N2CCc3ccccc32)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C27H32N2O6/c1-3-33-24-17-21(11-12-23(24)34-18-25(30)28-14-7-4-8-15-28)27(32)35-19(2)26(31)29-16-13-20-9-5-6-10-22(20)29/h5-6,9-12,17,19H,3-4,7-8,13-16,18H2,1-2H3
InChIKeyNWNRJQIDNPIPLV-UHFFFAOYSA-N
MW480.56 g/mol
LogP3.61
Rot. Bonds8

About [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate

[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate (PubChem CID 42975907) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate.

Molecular Properties

Compound Name[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
PubChem CID42975907
Molecular FormulaC27H32N2O6
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Name[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
SMILESCCOc1cc(C(=O)OC(C)C(=O)N2CCc3ccccc32)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C27H32N2O6/c1-3-33-24-17-21(11-12-23(24)34-18-25(30)28-14-7-4-8-15-28)27(32)35-19(2)26(31)29-16-13-20-9-5-6-10-22(20)29/h5-6,9-12,17,19H,3-4,7-8,13-16,18H2,1-2H3
InChIKeyNWNRJQIDNPIPLV-UHFFFAOYSA-N
XLogP3.61
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate with MolForge

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Related Compounds

[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 7558649
2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 42997091
[1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 42975908
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 29333294
2-[4-(2,3-dihydroindole-1-carbonyl)-2-ethoxyphenoxy]-1-morpholin-4-ylethanone
CID 8012463
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 42900448
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 30198862
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 2661530
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] benzoate
CID 2661512
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 18192249
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 2661473

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate?
The IUPAC name of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate (CID 42975907) is [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate.
What is the SMILES notation for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate?
The canonical SMILES for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate is CCOc1cc(C(=O)OC(C)C(=O)N2CCc3ccccc32)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate?
The InChIKey is NWNRJQIDNPIPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O6/c1-3-33-24-17-21(11-12-23(24)34-18-25(30)28-14-7-4-8-15-28)27(32)35-19(2)26(31)29-16-13-20-9-5-6-10-22(20)29/h5-6,9-12,17,19H,3-4,7-8,13-16,18H2,1-2H3.
What are the key properties of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate?
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate has a molecular weight of 480.56 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate is sourced from PubChem (CID 42975907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).