1-(2-amino-5-bromophenyl)piperidine-3-carboxamide

C12H16BrN3O — CID 65341597

IUPAC1-(2-amino-5-bromophenyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2cc(Br)ccc2N)C1
InChIInChI=1S/C12H16BrN3O/c13-9-3-4-10(14)11(6-9)16-5-1-2-8(7-16)12(15)17/h3-4,6,8H,1-2,5,7,14H2,(H2,15,17)
InChIKeyIQTRUAJPHFYIGN-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.73
Rot. Bonds2

About 1-(2-amino-5-bromophenyl)piperidine-3-carboxamide

1-(2-amino-5-bromophenyl)piperidine-3-carboxamide (PubChem CID 65341597) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)piperidine-3-carboxamide
PubChem CID65341597
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name1-(2-amino-5-bromophenyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2cc(Br)ccc2N)C1
InChIInChI=1S/C12H16BrN3O/c13-9-3-4-10(14)11(6-9)16-5-1-2-8(7-16)12(15)17/h3-4,6,8H,1-2,5,7,14H2,(H2,15,17)
InChIKeyIQTRUAJPHFYIGN-UHFFFAOYSA-N
XLogP1.73
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-bromophenyl)piperidin-3-ol
CID 65343065
1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide
CID 104711327
1-(2-amino-5-bromophenyl)-6-methylpiperidine-3-carboxamide
CID 65343443
3-amino-4-(3-carbamoylpiperidin-1-yl)benzoic acid
CID 54888911
1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide
CID 79714737
1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide
CID 66077177
1-[(2-amino-4-bromophenyl)methyl]piperidine-3-carboxamide
CID 114380375
1-[2-(2-amino-5-bromophenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 79520324
1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide
CID 43123574
1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 16784735
1-(4-bromo-2-methylphenyl)piperidine-3-carboxylic acid
CID 117008239
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidine-3-carboxamide
CID 78936049

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-5-bromophenyl)piperidine-3-carboxamide (CID 65341597) is 1-(2-amino-5-bromophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-5-bromophenyl)piperidine-3-carboxamide is NC(=O)C1CCCN(c2cc(Br)ccc2N)C1.
What is the InChIKey of 1-(2-amino-5-bromophenyl)piperidine-3-carboxamide?
The InChIKey is IQTRUAJPHFYIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-9-3-4-10(14)11(6-9)16-5-1-2-8(7-16)12(15)17/h3-4,6,8H,1-2,5,7,14H2,(H2,15,17).
What are the key properties of 1-(2-amino-5-bromophenyl)piperidine-3-carboxamide?
1-(2-amino-5-bromophenyl)piperidine-3-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 65341597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).