N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide

C12H15IN2O2S — CID 113233340

IUPACN-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2csc(I)c2)CC1
InChIInChI=1S/C12H15IN2O2S/c1-8(16)14-10-2-4-15(5-3-10)12(17)9-6-11(13)18-7-9/h6-7,10H,2-5H2,1H3,(H,14,16)
InChIKeyMDSMVFWRYRCMLM-UHFFFAOYSA-N
MW378.24 g/mol
LogP2.09
Rot. Bonds2

About N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide

N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide (PubChem CID 113233340) 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-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide
PubChem CID113233340
Molecular FormulaC12H15IN2O2S
Molecular Weight378.24 g/mol
Exact Mass377.99
IUPAC NameN-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2csc(I)c2)CC1
InChIInChI=1S/C12H15IN2O2S/c1-8(16)14-10-2-4-15(5-3-10)12(17)9-6-11(13)18-7-9/h6-7,10H,2-5H2,1H3,(H,14,16)
InChIKeyMDSMVFWRYRCMLM-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-3-yl]acetamide
CID 78948823
N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]butanamide
CID 78949086
N-[1-(4-iodobenzoyl)piperidin-4-yl]acetamide
CID 49348956
(5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413710
(4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80661761
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78950588
[4-(ethylaminomethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 80551583
[4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 79693125
1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide
CID 78948632
[3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949609
N-(1,2-dimethylpiperidin-4-yl)-5-iodothiophene-3-carboxamide
CID 79005771
N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 115738808

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide (CID 113233340) is N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)c2csc(I)c2)CC1.
What is the InChIKey of N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is MDSMVFWRYRCMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O2S/c1-8(16)14-10-2-4-15(5-3-10)12(17)9-6-11(13)18-7-9/h6-7,10H,2-5H2,1H3,(H,14,16).
What are the key properties of N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide?
N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-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-4-yl]acetamide is sourced from PubChem (CID 113233340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).