methyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate

C15H19N3O4 — CID 95974055

IUPACmethyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)[C@H]2CCCCN2C(N)=O)c1
InChIInChI=1S/C15H19N3O4/c1-22-14(20)10-5-4-6-11(9-10)17-13(19)12-7-2-3-8-18(12)15(16)21/h4-6,9,12H,2-3,7-8H2,1H3,(H2,16,21)(H,17,19)/t12-/m1/s1
InChIKeyWRUKNPPTRXRYEB-GFCCVEGCSA-N
MW305.33 g/mol
LogP1.34
Rot. Bonds3

About methyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate

methyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate (PubChem CID 95974055) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate
PubChem CID95974055
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Namemethyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)[C@H]2CCCCN2C(N)=O)c1
InChIInChI=1S/C15H19N3O4/c1-22-14(20)10-5-4-6-11(9-10)17-13(19)12-7-2-3-8-18(12)15(16)21/h4-6,9,12H,2-3,7-8H2,1H3,(H2,16,21)(H,17,19)/t12-/m1/s1
InChIKeyWRUKNPPTRXRYEB-GFCCVEGCSA-N
XLogP1.34
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 9323125
ethyl 3-[(1-butanoylpyrrolidine-2-carbonyl)amino]benzoate
CID 60528914
ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate
CID 60551969
methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64823451
methyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109140336
methyl 3-(pyrrolidine-1-carbonylamino)benzoate
CID 39732853
methyl 3-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 18155623
1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55966477
methyl 3-(carbamoylamino)benzoate
CID 2822841
methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109132315
ethyl 3-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 55607238
methyl 1-[3-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-2-carboxylate
CID 119781229

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate (CID 95974055) is methyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)[C@H]2CCCCN2C(N)=O)c1.
What is the InChIKey of methyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate?
The InChIKey is WRUKNPPTRXRYEB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-22-14(20)10-5-4-6-11(9-10)17-13(19)12-7-2-3-8-18(12)15(16)21/h4-6,9,12H,2-3,7-8H2,1H3,(H2,16,21)(H,17,19)/t12-/m1/s1.
What are the key properties of methyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate?
methyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate has a molecular weight of 305.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 95974055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).