(3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide

C12H14BrN3O3 — CID 81124120

IUPAC(3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCNC1
InChIInChI=1S/C12H14BrN3O3/c13-9-3-4-10(11(6-9)16(18)19)15-12(17)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2,(H,15,17)/t8-/m1/s1
InChIKeySZGQMXCPUURYDR-MRVPVSSYSA-N
MW328.17 g/mol
LogP2.30
Rot. Bonds3

About (3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide

(3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide (PubChem CID 81124120) has the molecular formula C12H14BrN3O3 and a molecular weight of 328.17 g/mol. Its IUPAC name is (3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide
PubChem CID81124120
Molecular FormulaC12H14BrN3O3
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Name(3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCNC1
InChIInChI=1S/C12H14BrN3O3/c13-9-3-4-10(11(6-9)16(18)19)15-12(17)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2,(H,15,17)/t8-/m1/s1
InChIKeySZGQMXCPUURYDR-MRVPVSSYSA-N
XLogP2.30
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-bromo-2-nitrophenyl)piperidine-4-carboxamide
CID 43711563
N-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide
CID 62674890
N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
CID 43347399
(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356
5-bromo-2-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 81141287
(3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide
CID 81135195
(3R)-N-(6-nitro-1,3-benzodioxol-5-yl)piperidine-3-carboxamide
CID 81119591
4-bromo-2-nitro-N-(1-piperidin-3-ylethyl)aniline
CID 62047256
(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921
N-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide
CID 82864995
(3S,4S)-4-(4-bromo-2-nitroanilino)piperidin-3-ol;hydrochloride
CID 131729090
N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide (CID 81124120) is (3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide is O=C(Nc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide?
The InChIKey is SZGQMXCPUURYDR-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14BrN3O3/c13-9-3-4-10(11(6-9)16(18)19)15-12(17)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2,(H,15,17)/t8-/m1/s1.
What are the key properties of (3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide?
(3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide has a molecular weight of 328.17 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 81124120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).