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

C12H14BrN3O3 — CID 43711563

IUPACN-(4-bromo-2-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1[N+](=O)[O-])C1CCNCC1
InChIInChI=1S/C12H14BrN3O3/c13-9-1-2-10(11(7-9)16(18)19)15-12(17)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2,(H,15,17)
InChIKeyHZDCJVRCXHJMFA-UHFFFAOYSA-N
MW328.17 g/mol
LogP2.30
Rot. Bonds3

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

N-(4-bromo-2-nitrophenyl)piperidine-4-carboxamide (PubChem CID 43711563) has the molecular formula C12H14BrN3O3 and a molecular weight of 328.17 g/mol. Its IUPAC name is N-(4-bromo-2-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-nitrophenyl)piperidine-4-carboxamide
PubChem CID43711563
Molecular FormulaC12H14BrN3O3
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC NameN-(4-bromo-2-nitrophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1[N+](=O)[O-])C1CCNCC1
InChIInChI=1S/C12H14BrN3O3/c13-9-1-2-10(11(7-9)16(18)19)15-12(17)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2,(H,15,17)
InChIKeyHZDCJVRCXHJMFA-UHFFFAOYSA-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

(3R)-N-(4-bromo-2-nitrophenyl)piperidine-3-carboxamide
CID 81124120
N-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide
CID 62211932
N-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide
CID 62674890
N-(2-acetamido-5-bromophenyl)piperidine-4-carboxamide;hydrochloride
CID 119308213
(4-bromo-2-nitrophenyl)urea
CID 54074030
(3S,4S)-4-(4-bromo-2-nitroanilino)piperidin-3-ol;hydrochloride
CID 131729090
N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
CID 54967697
4-bromo-2-nitro-N-(1-piperidin-3-ylethyl)aniline
CID 62047256
N-(4-bromo-2-nitrophenyl)-2,2-difluoroacetamide
CID 58381574
N-(4-bromo-2-nitrophenyl)-3-oxobutanamide
CID 4136951
N-(4-bromo-2-nitrophenyl)-4-methylpiperidin-4-amine
CID 114696945
N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119673458

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-nitrophenyl)piperidine-4-carboxamide (CID 43711563) is N-(4-bromo-2-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-nitrophenyl)piperidine-4-carboxamide is O=C(Nc1ccc(Br)cc1[N+](=O)[O-])C1CCNCC1.
What is the InChIKey of N-(4-bromo-2-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is HZDCJVRCXHJMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3/c13-9-1-2-10(11(7-9)16(18)19)15-12(17)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2,(H,15,17).
What are the key properties of N-(4-bromo-2-nitrophenyl)piperidine-4-carboxamide?
N-(4-bromo-2-nitrophenyl)piperidine-4-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 N-(4-bromo-2-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 43711563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).