1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide

C11H13IN2O2S — CID 78948632

IUPAC1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2csc(I)c2)CC1
InChIInChI=1S/C11H13IN2O2S/c12-9-5-8(6-17-9)11(16)14-3-1-7(2-4-14)10(13)15/h5-7H,1-4H2,(H2,13,15)
InChIKeyYJVIUZWEEZHKQT-UHFFFAOYSA-N
MW364.21 g/mol
LogP1.69
Rot. Bonds2

About 1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide

1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide (PubChem CID 78948632) has the molecular formula C11H13IN2O2S and a molecular weight of 364.21 g/mol. Its IUPAC name is 1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide
PubChem CID78948632
Molecular FormulaC11H13IN2O2S
Molecular Weight364.21 g/mol
Exact Mass363.97
IUPAC Name1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2csc(I)c2)CC1
InChIInChI=1S/C11H13IN2O2S/c12-9-5-8(6-17-9)11(16)14-3-1-7(2-4-14)10(13)15/h5-7H,1-4H2,(H2,13,15)
InChIKeyYJVIUZWEEZHKQT-UHFFFAOYSA-N
XLogP1.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 51.69
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

(4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80661761
[4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 79693125
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78950588
N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide
CID 113233340
1-[5-(3-hydroxyprop-1-ynyl)thiophene-3-carbonyl]piperidine-4-carboxamide
CID 79692820
[4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949659
[3-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 119484110
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 120816536
[3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949609
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 120816535
[4-(ethylaminomethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 80551583
1-(5-iodothiophene-3-carbonyl)azetidine-3-carboxylic acid
CID 79684884

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide (CID 78948632) is 1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2csc(I)c2)CC1.
What is the InChIKey of 1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is YJVIUZWEEZHKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O2S/c12-9-5-8(6-17-9)11(16)14-3-1-7(2-4-14)10(13)15/h5-7H,1-4H2,(H2,13,15).
What are the key properties of 1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide?
1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 364.21 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 78948632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).