1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide

C21H20N4O3 — CID 55367657

IUPAC1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C21H20N4O3/c26-21(23-20-10-9-15-5-1-2-6-17(15)22-20)16-11-13-24(14-12-16)18-7-3-4-8-19(18)25(27)28/h1-10,16H,11-14H2,(H,22,23,26)
InChIKeySQUNVRGILGLBBR-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.00
Rot. Bonds4

About 1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide

1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide (PubChem CID 55367657) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide
PubChem CID55367657
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C21H20N4O3/c26-21(23-20-10-9-15-5-1-2-6-17(15)22-20)16-11-13-24(14-12-16)18-7-3-4-8-19(18)25(27)28/h1-10,16H,11-14H2,(H,22,23,26)
InChIKeySQUNVRGILGLBBR-UHFFFAOYSA-N
XLogP4.00
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
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

N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 17494985
1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 26358381
N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9431636
N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26114451
1-(2-nitrophenyl)-N-(2-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 134009397
N-(3-methyl-2-pyridinyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 35031896
N-quinolin-2-ylcyclopentanecarboxamide
CID 39959364
1-(2-nitrophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 38961699
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 39280111
N-[(2R)-3-methylbutan-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 40809904
N-(2-anilino-2-oxoethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 55836642
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide (CID 55367657) is 1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide is O=C(Nc1ccc2ccccc2n1)C1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide?
The InChIKey is SQUNVRGILGLBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-21(23-20-10-9-15-5-1-2-6-17(15)22-20)16-11-13-24(14-12-16)18-7-3-4-8-19(18)25(27)28/h1-10,16H,11-14H2,(H,22,23,26).
What are the key properties of 1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide?
1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55367657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).