methyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate

C25H28N2O6 — CID 55759063

IUPACmethyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C25H28N2O6/c1-31-20-13-19(14-21(15-20)32-2)23(28)26-9-6-16(7-10-26)24(29)27-11-8-17-12-18(25(30)33-3)4-5-22(17)27/h4-5,12-16H,6-11H2,1-3H3
InChIKeyQUEXKSLAGPWVHL-UHFFFAOYSA-N
MW452.51 g/mol
LogP2.93
Rot. Bonds5

About methyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate

methyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate (PubChem CID 55759063) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is methyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate
PubChem CID55759063
Molecular FormulaC25H28N2O6
Molecular Weight452.51 g/mol
Exact Mass452.19
IUPAC Namemethyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C25H28N2O6/c1-31-20-13-19(14-21(15-20)32-2)23(28)26-9-6-16(7-10-26)24(29)27-11-8-17-12-18(25(30)33-3)4-5-22(17)27/h4-5,12-16H,6-11H2,1-3H3
InChIKeyQUEXKSLAGPWVHL-UHFFFAOYSA-N
XLogP2.93
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate
CID 86917335
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55758048
1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737350
methyl 4-[[[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]hydrazinylidene]methyl]benzoate
CID 3349670
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 52612498
methyl 4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzoate
CID 36801576
methyl 1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylate
CID 55941427
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
methyl 4-chloro-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]benzoate
CID 100506055
(3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110315984

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate (CID 55759063) is methyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1.
What is the InChIKey of methyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate?
The InChIKey is QUEXKSLAGPWVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6/c1-31-20-13-19(14-21(15-20)32-2)23(28)26-9-6-16(7-10-26)24(29)27-11-8-17-12-18(25(30)33-3)4-5-22(17)27/h4-5,12-16H,6-11H2,1-3H3.
What are the key properties of methyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate?
methyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate has a molecular weight of 452.51 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 55759063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).