(2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide

C12H14BrIN2O — CID 113266605

IUPAC(2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)c(I)c1)[C@@H]1CCCCN1
InChIInChI=1S/C12H14BrIN2O/c13-9-5-4-8(7-10(9)14)16-12(17)11-3-1-2-6-15-11/h4-5,7,11,15H,1-3,6H2,(H,16,17)/t11-/m0/s1
InChIKeyRMDLENKMYHUNSB-NSHDSACASA-N
MW409.07 g/mol
LogP3.13
Rot. Bonds2

About (2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide

(2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide (PubChem CID 113266605) has the molecular formula C12H14BrIN2O and a molecular weight of 409.07 g/mol. Its IUPAC name is (2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide
PubChem CID113266605
Molecular FormulaC12H14BrIN2O
Molecular Weight409.07 g/mol
Exact Mass407.93
IUPAC Name(2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)c(I)c1)[C@@H]1CCCCN1
InChIInChI=1S/C12H14BrIN2O/c13-9-5-4-8(7-10(9)14)16-12(17)11-3-1-2-6-15-11/h4-5,7,11,15H,1-3,6H2,(H,16,17)/t11-/m0/s1
InChIKeyRMDLENKMYHUNSB-NSHDSACASA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.07
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238
2-bromo-5-(piperidine-2-carbonylamino)benzoic acid
CID 115296363
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 115733745
N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 43233890
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
2-bromo-4-(pyrrolidine-2-carbonylamino)benzoic acid
CID 123473480
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
(2R)-N-(3-hydroxy-4-methylphenyl)piperidine-2-carboxamide
CID 107701571
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide (CID 113266605) is (2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide is O=C(Nc1ccc(Br)c(I)c1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide?
The InChIKey is RMDLENKMYHUNSB-NSHDSACASA-N. The full InChI is InChI=1S/C12H14BrIN2O/c13-9-5-4-8(7-10(9)14)16-12(17)11-3-1-2-6-15-11/h4-5,7,11,15H,1-3,6H2,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide?
(2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide has a molecular weight of 409.07 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 113266605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).