methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate

C18H24N2O5 — CID 95623292

IUPACmethyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate
SMILESCCOCC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1
InChIInChI=1S/C18H24N2O5/c1-3-25-12-16(21)19-14-8-6-7-13(11-14)17(22)20-10-5-4-9-15(20)18(23)24-2/h6-8,11,15H,3-5,9-10,12H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyRPKPSBCGPCRXGU-OAHLLOKOSA-N
MW348.40 g/mol
LogP1.83
Rot. Bonds6

About methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate

methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate (PubChem CID 95623292) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate
PubChem CID95623292
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Namemethyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate
SMILESCCOCC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1
InChIInChI=1S/C18H24N2O5/c1-3-25-12-16(21)19-14-8-6-7-13(11-14)17(22)20-10-5-4-9-15(20)18(23)24-2/h6-8,11,15H,3-5,9-10,12H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyRPKPSBCGPCRXGU-OAHLLOKOSA-N
XLogP1.83
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(2-methoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243504
methyl 1-[3-[[2-(4-aminophenyl)acetyl]amino]benzoyl]piperidine-2-carboxylate
CID 119781221
methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride
CID 120592080
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
methyl 1-[3-[[(2S)-2-aminopropanoyl]amino]benzoyl]piperidine-2-carboxylate
CID 119322240
methyl 1-[3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]piperidine-2-carboxylate
CID 119781239
1-[3-[(2-butan-2-yloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 120526867
1-[3-[(2-cyclopentyloxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243450
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
1-[3-[(2-phenoxyacetyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243598
methyl 1-[3-[(3-aminocyclohexanecarbonyl)amino]benzoyl]piperidine-2-carboxylate
CID 119781229
methyl 1-[3-[(2-amino-2-phenylacetyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride
CID 119322257

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate (CID 95623292) is methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate is CCOCC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1.
What is the InChIKey of methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate?
The InChIKey is RPKPSBCGPCRXGU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-3-25-12-16(21)19-14-8-6-7-13(11-14)17(22)20-10-5-4-9-15(20)18(23)24-2/h6-8,11,15H,3-5,9-10,12H2,1-2H3,(H,19,21)/t15-/m1/s1.
What are the key properties of methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate?
methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[3-[(2-ethoxyacetyl)amino]benzoyl]piperidine-2-carboxylate is sourced from PubChem (CID 95623292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).