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

C24H30N2O5 — CID 45012095

IUPACmethyl 4,5-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C24H30N2O5/c1-16-6-5-7-17(12-16)15-26-10-8-18(9-11-26)23(27)25-20-14-22(30-3)21(29-2)13-19(20)24(28)31-4/h5-7,12-14,18H,8-11,15H2,1-4H3,(H,25,27)
InChIKeyASZUDIQMOCHZGV-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.65
Rot. Bonds7

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

methyl 4,5-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate (PubChem CID 45012095) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
PubChem CID45012095
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Namemethyl 4,5-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C24H30N2O5/c1-16-6-5-7-17(12-16)15-26-10-8-18(9-11-26)23(27)25-20-14-22(30-3)21(29-2)13-19(20)24(28)31-4/h5-7,12-14,18H,8-11,15H2,1-4H3,(H,25,27)
InChIKeyASZUDIQMOCHZGV-UHFFFAOYSA-N
XLogP3.65
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4,5-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 45012607
methyl 4-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007013
methyl 2-[[1-[(3-bromophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate
CID 43925735
methyl 4,5-dimethoxy-2-[[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate
CID 38142313
methyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43925728
[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate
CID 55356239
methyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate
CID 43924414
methyl 4,5-dimethoxy-2-[[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate
CID 38149060
1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 26321068
tert-butyl 4-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 39966282
N-(4-amino-5-chloro-2-methoxyphenyl)-1-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 13216276
1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 45015995

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate (CID 45012095) is methyl 4,5-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1.
What is the InChIKey of methyl 4,5-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate?
The InChIKey is ASZUDIQMOCHZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-16-6-5-7-17(12-16)15-26-10-8-18(9-11-26)23(27)25-20-14-22(30-3)21(29-2)13-19(20)24(28)31-4/h5-7,12-14,18H,8-11,15H2,1-4H3,(H,25,27).
What are the key properties of methyl 4,5-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate?
methyl 4,5-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate has a molecular weight of 426.51 g/mol, XLogP of 3.65, 7 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-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 45012095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).