ethyl 3-methyl-4-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate

C17H24N2O3 — CID 95397578

IUPACethyl 3-methyl-4-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C)C2)c(C)c1
InChIInChI=1S/C17H24N2O3/c1-4-22-17(21)13-7-8-15(12(2)10-13)18-16(20)14-6-5-9-19(3)11-14/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyJENUAEOIASMZQG-CQSZACIVSA-N
MW304.39 g/mol
LogP2.45
Rot. Bonds4

About ethyl 3-methyl-4-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate

ethyl 3-methyl-4-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate (PubChem CID 95397578) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 3-methyl-4-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-methyl-4-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate
PubChem CID95397578
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 3-methyl-4-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C)C2)c(C)c1
InChIInChI=1S/C17H24N2O3/c1-4-22-17(21)13-7-8-15(12(2)10-13)18-16(20)14-6-5-9-19(3)11-14/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,18,20)/t14-/m1/s1
InChIKeyJENUAEOIASMZQG-CQSZACIVSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]-3-methylbenzoate
CID 92671950
ethyl 4-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-methylbenzoate
CID 133168230
methyl 4-chloro-3-[(1-methylpiperidine-3-carbonyl)amino]benzoate
CID 110861816
ethyl 4-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]-3-methylbenzoate
CID 100655496
ethyl 4-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]-3-methylbenzoate
CID 99953680
ethyl 2-[(1-methylpiperidine-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 132653020
ethyl 4-[[1-[(3-chlorophenyl)methyl]piperidine-4-carbonyl]amino]-3-methylbenzoate
CID 46774567
ethyl 3-methyl-4-[[1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate
CID 46778765
ethyl 3-chloro-4-[[(3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carbonyl]amino]benzoate
CID 99644749
ethyl 4-[[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-3-methylbenzoate
CID 99953553
N-(2,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 110860603
ethyl 4-(2,2-dimethylpropanoylamino)-3-methylbenzoate
CID 99771150

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-4-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 3-methyl-4-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate (CID 95397578) is ethyl 3-methyl-4-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 3-methyl-4-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 3-methyl-4-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C)C2)c(C)c1.
What is the InChIKey of ethyl 3-methyl-4-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate?
The InChIKey is JENUAEOIASMZQG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-22-17(21)13-7-8-15(12(2)10-13)18-16(20)14-6-5-9-19(3)11-14/h7-8,10,14H,4-6,9,11H2,1-3H3,(H,18,20)/t14-/m1/s1.
What are the key properties of ethyl 3-methyl-4-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate?
ethyl 3-methyl-4-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate has a molecular weight of 304.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-4-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 95397578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).