methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate

C16H19ClN2O5 — CID 17435665

IUPACmethyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2cccc(Cl)c2N)CC1
InChIInChI=1S/C16H19ClN2O5/c1-23-15(21)10-5-7-19(8-6-10)13(20)9-24-16(22)11-3-2-4-12(17)14(11)18/h2-4,10H,5-9,18H2,1H3
InChIKeyJHIBLIYXEFBOKP-UHFFFAOYSA-N
MW354.79 g/mol
LogP1.49
Rot. Bonds4

About methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate

methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate (PubChem CID 17435665) has the molecular formula C16H19ClN2O5 and a molecular weight of 354.79 g/mol. Its IUPAC name is methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate
PubChem CID17435665
Molecular FormulaC16H19ClN2O5
Molecular Weight354.79 g/mol
Exact Mass354.10
IUPAC Namemethyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2cccc(Cl)c2N)CC1
InChIInChI=1S/C16H19ClN2O5/c1-23-15(21)10-5-7-19(8-6-10)13(20)9-24-16(22)11-3-2-4-12(17)14(11)18/h2-4,10H,5-9,18H2,1H3
InChIKeyJHIBLIYXEFBOKP-UHFFFAOYSA-N
XLogP1.49
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[2-[2-(difluoromethoxy)benzoyl]oxyacetyl]piperidine-4-carboxylate
CID 55327517
methyl 1-[2-(1,4-dihydroxynaphthalene-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 7228482
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 7649089
ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate
CID 115540184
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 30432280
[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-amino-3-chlorobenzoate
CID 24531285
methyl 1-[2-(2-bromo-5-sulfamoylbenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 42985830
methyl 1-[2-(4-cyanobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 7716952
methyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate
CID 7193669
methyl 1-(2-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 60682146
methyl 1-[2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate
CID 7867913
methyl 1-[2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzoyl]oxyacetyl]piperidine-4-carboxylate
CID 42966920

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate (CID 17435665) is methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)COC(=O)c2cccc(Cl)c2N)CC1.
What is the InChIKey of methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate?
The InChIKey is JHIBLIYXEFBOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O5/c1-23-15(21)10-5-7-19(8-6-10)13(20)9-24-16(22)11-3-2-4-12(17)14(11)18/h2-4,10H,5-9,18H2,1H3.
What are the key properties of methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate?
methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate has a molecular weight of 354.79 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 17435665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).