(4-nitrophenyl)methyl (2R)-1-(pyridine-3-carbonyl)piperidine-2-carboxylate

C19H19N3O5 — CID 97012490

IUPAC(4-nitrophenyl)methyl (2R)-1-(pyridine-3-carbonyl)piperidine-2-carboxylate
SMILESO=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1C(=O)c1cccnc1
InChIInChI=1S/C19H19N3O5/c23-18(15-4-3-10-20-12-15)21-11-2-1-5-17(21)19(24)27-13-14-6-8-16(9-7-14)22(25)26/h3-4,6-10,12,17H,1-2,5,11,13H2/t17-/m1/s1
InChIKeyZPZYFPTVLNXJMC-QGZVFWFLSA-N
MW369.38 g/mol
LogP2.73
Rot. Bonds5

About (4-nitrophenyl)methyl (2R)-1-(pyridine-3-carbonyl)piperidine-2-carboxylate

(4-nitrophenyl)methyl (2R)-1-(pyridine-3-carbonyl)piperidine-2-carboxylate (PubChem CID 97012490) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is (4-nitrophenyl)methyl (2R)-1-(pyridine-3-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Name(4-nitrophenyl)methyl (2R)-1-(pyridine-3-carbonyl)piperidine-2-carboxylate
PubChem CID97012490
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name(4-nitrophenyl)methyl (2R)-1-(pyridine-3-carbonyl)piperidine-2-carboxylate
SMILESO=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1C(=O)c1cccnc1
InChIInChI=1S/C19H19N3O5/c23-18(15-4-3-10-20-12-15)21-11-2-1-5-17(21)19(24)27-13-14-6-8-16(9-7-14)22(25)26/h3-4,6-10,12,17H,1-2,5,11,13H2/t17-/m1/s1
InChIKeyZPZYFPTVLNXJMC-QGZVFWFLSA-N
XLogP2.73
TPSA102.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
methyl (2S)-1-(4-nitrobenzoyl)piperidine-2-carboxylate
CID 2712348
tert-butyl (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 10564407
[1-(pyridine-3-carbonyl)pyrrolidine-2-carbonyl] 5-nitroquinoline-8-carboxylate
CID 166687231
(4-nitrophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 10913511
methyl (2R)-1-(3-nitrobenzoyl)piperidine-2-carboxylate
CID 79836137
benzyl (2S)-1-(6-chloropyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 95233599
(4-nitrophenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 42990335
(4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 119032862
[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 97078426
methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate
CID 101432816
N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 166214456

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)methyl (2R)-1-(pyridine-3-carbonyl)piperidine-2-carboxylate?
The IUPAC name of (4-nitrophenyl)methyl (2R)-1-(pyridine-3-carbonyl)piperidine-2-carboxylate (CID 97012490) is (4-nitrophenyl)methyl (2R)-1-(pyridine-3-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for (4-nitrophenyl)methyl (2R)-1-(pyridine-3-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for (4-nitrophenyl)methyl (2R)-1-(pyridine-3-carbonyl)piperidine-2-carboxylate is O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1C(=O)c1cccnc1.
What is the InChIKey of (4-nitrophenyl)methyl (2R)-1-(pyridine-3-carbonyl)piperidine-2-carboxylate?
The InChIKey is ZPZYFPTVLNXJMC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N3O5/c23-18(15-4-3-10-20-12-15)21-11-2-1-5-17(21)19(24)27-13-14-6-8-16(9-7-14)22(25)26/h3-4,6-10,12,17H,1-2,5,11,13H2/t17-/m1/s1.
What are the key properties of (4-nitrophenyl)methyl (2R)-1-(pyridine-3-carbonyl)piperidine-2-carboxylate?
(4-nitrophenyl)methyl (2R)-1-(pyridine-3-carbonyl)piperidine-2-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)methyl (2R)-1-(pyridine-3-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 97012490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).