(2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

C13H18ClIN2O — CID 120616575

IUPAC(2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccc(I)c2)CCN1.Cl
InChIInChI=1S/C13H17IN2O.ClH/c1-9-7-10(5-6-15-9)13(17)16-12-4-2-3-11(14)8-12;/h2-4,8-10,15H,5-7H2,1H3,(H,16,17);1H/t9-,10-;/m0./s1
InChIKeyMQDXUJPTZXYZAN-IYPAPVHQSA-N
MW380.66 g/mol
LogP3.04
Rot. Bonds2

About (2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120616575) has the molecular formula C13H18ClIN2O and a molecular weight of 380.66 g/mol. Its IUPAC name is (2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120616575
Molecular FormulaC13H18ClIN2O
Molecular Weight380.66 g/mol
Exact Mass380.02
IUPAC Name(2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccc(I)c2)CCN1.Cl
InChIInChI=1S/C13H17IN2O.ClH/c1-9-7-10(5-6-15-9)13(17)16-12-4-2-3-11(14)8-12;/h2-4,8-10,15H,5-7H2,1H3,(H,16,17);1H/t9-,10-;/m0./s1
InChIKeyMQDXUJPTZXYZAN-IYPAPVHQSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.66
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
2-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 106738709
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120626462
(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120620603
(2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 120619627
(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620325
(2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120631994
(2S,4S)-N-[3-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120620400
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120624437
(2S,4S)-2-methyl-N-(3-thiophen-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120620482

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120616575) is (2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2cccc(I)c2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is MQDXUJPTZXYZAN-IYPAPVHQSA-N. The full InChI is InChI=1S/C13H17IN2O.ClH/c1-9-7-10(5-6-15-9)13(17)16-12-4-2-3-11(14)8-12;/h2-4,8-10,15H,5-7H2,1H3,(H,16,17);1H/t9-,10-;/m0./s1.
What are the key properties of (2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 380.66 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120616575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).