N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride

C12H16ClIN2O — CID 119263523

IUPACN-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(I)c1)C1CCCNC1
InChIInChI=1S/C12H15IN2O.ClH/c13-10-4-1-5-11(7-10)15-12(16)9-3-2-6-14-8-9;/h1,4-5,7,9,14H,2-3,6,8H2,(H,15,16);1H
InChIKeyBTJGGMKQLOFLPQ-UHFFFAOYSA-N
MW366.63 g/mol
LogP2.65
Rot. Bonds2

About N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride

N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119263523) has the molecular formula C12H16ClIN2O and a molecular weight of 366.63 g/mol. Its IUPAC name is N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119263523
Molecular FormulaC12H16ClIN2O
Molecular Weight366.63 g/mol
Exact Mass366.00
IUPAC NameN-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(I)c1)C1CCCNC1
InChIInChI=1S/C12H15IN2O.ClH/c13-10-4-1-5-11(7-10)15-12(16)9-3-2-6-14-8-9;/h1,4-5,7,9,14H,2-3,6,8H2,(H,15,16);1H
InChIKeyBTJGGMKQLOFLPQ-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.63
LogP ≤ 52.65
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

N-(3-benzoylphenyl)piperidine-3-carboxamide
CID 119279700
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
CID 81123295
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119291452
N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119303125
(2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616575
N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 63006855
(3R)-N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 94916708
N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327480
N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119283131
N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306298

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride (CID 119263523) is N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(I)c1)C1CCCNC1.
What is the InChIKey of N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is BTJGGMKQLOFLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O.ClH/c13-10-4-1-5-11(7-10)15-12(16)9-3-2-6-14-8-9;/h1,4-5,7,9,14H,2-3,6,8H2,(H,15,16);1H.
What are the key properties of N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride?
N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 366.63 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119263523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).