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

C14H19IN2O2S — CID 78949086

IUPACN-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)c2csc(I)c2)CC1
InChIInChI=1S/C14H19IN2O2S/c1-2-3-13(18)16-11-4-6-17(7-5-11)14(19)10-8-12(15)20-9-10/h8-9,11H,2-7H2,1H3,(H,16,18)
InChIKeyPOLRDAMZFCEMGY-UHFFFAOYSA-N
MW406.29 g/mol
LogP2.87
Rot. Bonds4

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

N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]butanamide (PubChem CID 78949086) has the molecular formula C14H19IN2O2S and a molecular weight of 406.29 g/mol. Its IUPAC name is N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]butanamide
PubChem CID78949086
Molecular FormulaC14H19IN2O2S
Molecular Weight406.29 g/mol
Exact Mass406.02
IUPAC NameN-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(C(=O)c2csc(I)c2)CC1
InChIInChI=1S/C14H19IN2O2S/c1-2-3-13(18)16-11-4-6-17(7-5-11)14(19)10-8-12(15)20-9-10/h8-9,11H,2-7H2,1H3,(H,16,18)
InChIKeyPOLRDAMZFCEMGY-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 52.87
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
[4-(ethylaminomethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 80551583
(5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413710
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78950588
[4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 79693125
(4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80661761
5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
CID 78950028
N-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]butanamide
CID 145039927
1-(5-iodothiophene-3-carbonyl)piperidine-4-carboxamide
CID 78948632
N-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]acetamide
CID 78948823
(5-iodothiophen-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539259
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butanamide
CID 110820607

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]butanamide?
The IUPAC name of N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]butanamide (CID 78949086) is N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]butanamide.
What is the SMILES notation for N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]butanamide?
The canonical SMILES for N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]butanamide is CCCC(=O)NC1CCN(C(=O)c2csc(I)c2)CC1.
What is the InChIKey of N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]butanamide?
The InChIKey is POLRDAMZFCEMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2S/c1-2-3-13(18)16-11-4-6-17(7-5-11)14(19)10-8-12(15)20-9-10/h8-9,11H,2-7H2,1H3,(H,16,18).
What are the key properties of N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]butanamide?
N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]butanamide has a molecular weight of 406.29 g/mol, XLogP of 2.87, 4 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]butanamide is sourced from PubChem (CID 78949086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).