methyl 2-[[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate

C23H26Cl2N2O5 — CID 43925734

IUPACmethyl 2-[[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C23H26Cl2N2O5/c1-30-20-10-15(23(29)32-3)19(11-21(20)31-2)26-22(28)14-6-5-9-27(12-14)13-16-17(24)7-4-8-18(16)25/h4,7-8,10-11,14H,5-6,9,12-13H2,1-3H3,(H,26,28)
InChIKeyKOQDKDBHPVTONZ-UHFFFAOYSA-N
MW481.38 g/mol
LogP4.65
Rot. Bonds7

About methyl 2-[[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate

methyl 2-[[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate (PubChem CID 43925734) has the molecular formula C23H26Cl2N2O5 and a molecular weight of 481.38 g/mol. Its IUPAC name is methyl 2-[[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate
PubChem CID43925734
Molecular FormulaC23H26Cl2N2O5
Molecular Weight481.38 g/mol
Exact Mass480.12
IUPAC Namemethyl 2-[[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C23H26Cl2N2O5/c1-30-20-10-15(23(29)32-3)19(11-21(20)31-2)26-22(28)14-6-5-9-27(12-14)13-16-17(24)7-4-8-18(16)25/h4,7-8,10-11,14H,5-6,9,12-13H2,1-3H3,(H,26,28)
InChIKeyKOQDKDBHPVTONZ-UHFFFAOYSA-N
XLogP4.65
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate with MolForge

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Related Compounds

methyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43925728
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 93490793
methyl 2-[[1-[(3-bromophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate
CID 43925735
1-[(2,6-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919691
(3R)-N-(2-chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93490507
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 43920255
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490450
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 100778330
1-[(2,6-dichlorophenyl)methyl]-N-phenylpiperidine-3-carboxamide
CID 43918962
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
methyl 4-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43920291
1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925323

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-[[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate (CID 43925734) is methyl 2-[[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-[[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-[[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCCN(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of methyl 2-[[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate?
The InChIKey is KOQDKDBHPVTONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O5/c1-30-20-10-15(23(29)32-3)19(11-21(20)31-2)26-22(28)14-6-5-9-27(12-14)13-16-17(24)7-4-8-18(16)25/h4,7-8,10-11,14H,5-6,9,12-13H2,1-3H3,(H,26,28).
What are the key properties of methyl 2-[[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate?
methyl 2-[[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate has a molecular weight of 481.38 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 43925734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).