methyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate

C24H28N2O6 — CID 46404099

IUPACmethyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C24H28N2O6/c1-15-7-9-16(10-8-15)23(28)26-11-5-6-17(14-26)22(27)25-19-13-21(31-3)20(30-2)12-18(19)24(29)32-4/h7-10,12-13,17H,5-6,11,14H2,1-4H3,(H,25,27)
InChIKeyLTCSLQLGOQGIFR-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.29
Rot. Bonds6

About methyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate

methyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate (PubChem CID 46404099) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate
PubChem CID46404099
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Namemethyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C24H28N2O6/c1-15-7-9-16(10-8-15)23(28)26-11-5-6-17(14-26)22(27)25-19-13-21(31-3)20(30-2)12-18(19)24(29)32-4/h7-10,12-13,17H,5-6,11,14H2,1-4H3,(H,25,27)
InChIKeyLTCSLQLGOQGIFR-UHFFFAOYSA-N
XLogP3.29
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43925728
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
N-(2-methoxydibenzofuran-3-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46404064
N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885
N-(2-butoxy-5-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 46441561
(3S)-1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 26735004
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
tert-butyl 3-[[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55639950
N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119618843
N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide
CID 55624623

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate (CID 46404099) is methyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1.
What is the InChIKey of methyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate?
The InChIKey is LTCSLQLGOQGIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-15-7-9-16(10-8-15)23(28)26-11-5-6-17(14-26)22(27)25-19-13-21(31-3)20(30-2)12-18(19)24(29)32-4/h7-10,12-13,17H,5-6,11,14H2,1-4H3,(H,25,27).
What are the key properties of methyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate?
methyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate has a molecular weight of 440.50 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 46404099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).