methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate

C14H16N2O5 — CID 79836137

IUPACmethyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H16N2O5/c1-21-14(18)12-7-2-3-8-15(12)13(17)10-5-4-6-11(9-10)16(19)20/h4-6,9,12H,2-3,7-8H2,1H3/t12-/m1/s1
InChIKeyRGBRVBPIYJGEDM-GFCCVEGCSA-N
MW292.29 g/mol
LogP1.76
Rot. Bonds3

About methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate

methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate (PubChem CID 79836137) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate
PubChem CID79836137
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Namemethyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H16N2O5/c1-21-14(18)12-7-2-3-8-15(12)13(17)10-5-4-6-11(9-10)16(19)20/h4-6,9,12H,2-3,7-8H2,1H3/t12-/m1/s1
InChIKeyRGBRVBPIYJGEDM-GFCCVEGCSA-N
XLogP1.76
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-1-(4-nitrobenzoyl)piperidine-2-carboxylate
CID 2712348
[(2R)-2-methylpiperidin-1-yl]-(3-nitrophenyl)methanone
CID 40541675
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
methyl 1-(3-nitrobenzoyl)piperidine-3-carboxylate
CID 78919014
methyl 1-[(3-nitrophenyl)methyl]piperidine-2-carboxylate
CID 115279194
methyl (2R)-1-[(3-nitrophenyl)methyl]piperidine-2-carboxylate
CID 79833827
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
methyl 1-[3-(difluoromethoxy)benzoyl]piperidine-2-carboxylate
CID 134039327
methyl 1-(2-fluoro-4-nitrobenzoyl)pyrrolidine-2-carboxylate
CID 61060212
[1-(3-nitrobenzoyl)piperidin-2-yl]methyl 3-nitrobenzoate
CID 10621651

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate (CID 79836137) is methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate?
The InChIKey is RGBRVBPIYJGEDM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-21-14(18)12-7-2-3-8-15(12)13(17)10-5-4-6-11(9-10)16(19)20/h4-6,9,12H,2-3,7-8H2,1H3/t12-/m1/s1.
What are the key properties of methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate?
methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate has a molecular weight of 292.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 79836137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).