N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C17H17IN2O2S — CID 55559011

IUPACN-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1I)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C17H17IN2O2S/c18-13-6-1-2-7-14(13)19-16(21)12-5-3-9-20(11-12)17(22)15-8-4-10-23-15/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,19,21)
InChIKeyYEOBSMIDVRDKAJ-UHFFFAOYSA-N
MW440.31 g/mol
LogP3.84
Rot. Bonds3

About N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 55559011) has the molecular formula C17H17IN2O2S and a molecular weight of 440.31 g/mol. Its IUPAC name is N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID55559011
Molecular FormulaC17H17IN2O2S
Molecular Weight440.31 g/mol
Exact Mass440.01
IUPAC NameN-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1I)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C17H17IN2O2S/c18-13-6-1-2-7-14(13)19-16(21)12-5-3-9-20(11-12)17(22)15-8-4-10-23-15/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,19,21)
InChIKeyYEOBSMIDVRDKAJ-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55672694
(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95160432
(3R)-N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784713
(3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide
CID 39982573
N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053443
N-[2-(4-methylphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558530
N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615
N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46461736
N-(2-fluoro-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062205
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
N-(2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558789
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42955485

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 55559011) is N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is O=C(Nc1ccccc1I)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is YEOBSMIDVRDKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O2S/c18-13-6-1-2-7-14(13)19-16(21)12-5-3-9-20(11-12)17(22)15-8-4-10-23-15/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,19,21).
What are the key properties of N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 440.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55559011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).