methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate

C17H22ClN3O4 — CID 55762114

IUPACmethyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)C2CCN(C(=O)N(C)C)CC2)ccc1Cl
InChIInChI=1S/C17H22ClN3O4/c1-20(2)17(24)21-8-6-11(7-9-21)15(22)19-12-4-5-14(18)13(10-12)16(23)25-3/h4-5,10-11H,6-9H2,1-3H3,(H,19,22)
InChIKeyIPDQWVXCLMCZRU-UHFFFAOYSA-N
MW367.83 g/mol
LogP2.46
Rot. Bonds3

About methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate

methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate (PubChem CID 55762114) has the molecular formula C17H22ClN3O4 and a molecular weight of 367.83 g/mol. Its IUPAC name is methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
PubChem CID55762114
Molecular FormulaC17H22ClN3O4
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC Namemethyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)C2CCN(C(=O)N(C)C)CC2)ccc1Cl
InChIInChI=1S/C17H22ClN3O4/c1-20(2)17(24)21-8-6-11(7-9-21)15(22)19-12-4-5-14(18)13(10-12)16(23)25-3/h4-5,10-11H,6-9H2,1-3H3,(H,19,22)
InChIKeyIPDQWVXCLMCZRU-UHFFFAOYSA-N
XLogP2.46
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate
CID 34160565
methyl 2-chloro-5-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 38238190
methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate
CID 95923491
4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56923353
(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161112
methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate
CID 30797828
methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 34159022
methyl 2-chloro-5-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 34159016
1-N,1-N-dimethyl-4-N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]piperidine-1,4-dicarboxamide
CID 60614939
4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922996
4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55931672
4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 94858106

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate (CID 55762114) is methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate is COC(=O)c1cc(NC(=O)C2CCN(C(=O)N(C)C)CC2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate?
The InChIKey is IPDQWVXCLMCZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O4/c1-20(2)17(24)21-8-6-11(7-9-21)15(22)19-12-4-5-14(18)13(10-12)16(23)25-3/h4-5,10-11H,6-9H2,1-3H3,(H,19,22).
What are the key properties of methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate?
methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate has a molecular weight of 367.83 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 55762114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).