N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide

C12H15IN2O2S — CID 78948823

IUPACN-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2csc(I)c2)C1
InChIInChI=1S/C12H15IN2O2S/c1-8(16)14-10-3-2-4-15(6-10)12(17)9-5-11(13)18-7-9/h5,7,10H,2-4,6H2,1H3,(H,14,16)
InChIKeyAPUTZBBBCJLULB-UHFFFAOYSA-N
MW378.24 g/mol
LogP2.09
Rot. Bonds2

About N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide

N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide (PubChem CID 78948823) has the molecular formula C12H15IN2O2S and a molecular weight of 378.24 g/mol. Its IUPAC name is N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide
PubChem CID78948823
Molecular FormulaC12H15IN2O2S
Molecular Weight378.24 g/mol
Exact Mass377.99
IUPAC NameN-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2csc(I)c2)C1
InChIInChI=1S/C12H15IN2O2S/c1-8(16)14-10-3-2-4-15(6-10)12(17)9-5-11(13)18-7-9/h5,7,10H,2-4,6H2,1H3,(H,14,16)
InChIKeyAPUTZBBBCJLULB-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.24
LogP ≤ 52.09
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-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide
CID 113233340
(5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413710
methyl (3S)-1-(5-iodothiophene-3-carbonyl)piperidine-3-carboxylate
CID 78949048
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
(3-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80660863
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
3-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]butanoic acid
CID 81046340
N-[(3R)-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-3-yl]acetamide
CID 52507139
[3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949609
N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide
CID 126424676
(5-iodothiophen-3-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 78949850
N-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide
CID 96570731

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide (CID 78948823) is N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)c2csc(I)c2)C1.
What is the InChIKey of N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is APUTZBBBCJLULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O2S/c1-8(16)14-10-3-2-4-15(6-10)12(17)9-5-11(13)18-7-9/h5,7,10H,2-4,6H2,1H3,(H,14,16).
What are the key properties of N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide?
N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 378.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 78948823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).