N-(2,2,2-tribromo-1-phenylethyl)piperidine-1-carboxamide

C14H17Br3N2O — CID 3673629

IUPACN-(2,2,2-tribromo-1-phenylethyl)piperidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)C(Br)(Br)Br)N1CCCCC1
InChIInChI=1S/C14H17Br3N2O/c15-14(16,17)12(11-7-3-1-4-8-11)18-13(20)19-9-5-2-6-10-19/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,18,20)
InChIKeyMPYQBAXMDFZCGV-UHFFFAOYSA-N
MW469.02 g/mol
LogP4.76
Rot. Bonds2

About N-(2,2,2-tribromo-1-phenylethyl)piperidine-1-carboxamide

N-(2,2,2-tribromo-1-phenylethyl)piperidine-1-carboxamide (PubChem CID 3673629) has the molecular formula C14H17Br3N2O and a molecular weight of 469.02 g/mol. Its IUPAC name is N-(2,2,2-tribromo-1-phenylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-tribromo-1-phenylethyl)piperidine-1-carboxamide
PubChem CID3673629
Molecular FormulaC14H17Br3N2O
Molecular Weight469.02 g/mol
Exact Mass465.89
IUPAC NameN-(2,2,2-tribromo-1-phenylethyl)piperidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)C(Br)(Br)Br)N1CCCCC1
InChIInChI=1S/C14H17Br3N2O/c15-14(16,17)12(11-7-3-1-4-8-11)18-13(20)19-9-5-2-6-10-19/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,18,20)
InChIKeyMPYQBAXMDFZCGV-UHFFFAOYSA-N
XLogP4.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.02
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 108987850
N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide
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4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid
CID 61186751
methyl 2-phenyl-2-(pyrrolidine-1-carbonylamino)acetate
CID 79161746
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438235
2,2-dimethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]propanamide
CID 110286834
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide
CID 47016173
N-benzhydryl-2-oxo-2-piperidin-1-ylacetamide
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N-benzhydryl-4-[(1S)-1-piperidin-1-ylethyl]piperazine-1-carboxamide
CID 69018260

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-tribromo-1-phenylethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2,2,2-tribromo-1-phenylethyl)piperidine-1-carboxamide (CID 3673629) is N-(2,2,2-tribromo-1-phenylethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,2,2-tribromo-1-phenylethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,2,2-tribromo-1-phenylethyl)piperidine-1-carboxamide is O=C(NC(c1ccccc1)C(Br)(Br)Br)N1CCCCC1.
What is the InChIKey of N-(2,2,2-tribromo-1-phenylethyl)piperidine-1-carboxamide?
The InChIKey is MPYQBAXMDFZCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br3N2O/c15-14(16,17)12(11-7-3-1-4-8-11)18-13(20)19-9-5-2-6-10-19/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,18,20).
What are the key properties of N-(2,2,2-tribromo-1-phenylethyl)piperidine-1-carboxamide?
N-(2,2,2-tribromo-1-phenylethyl)piperidine-1-carboxamide has a molecular weight of 469.02 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-tribromo-1-phenylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 3673629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).