(3,5-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride

C11H16ClIN2OS — CID 119564307

IUPAC(3,5-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2csc(I)c2)CC(C)N1.Cl
InChIInChI=1S/C11H15IN2OS.ClH/c1-7-4-14(5-8(2)13-7)11(15)9-3-10(12)16-6-9;/h3,6-8,13H,4-5H2,1-2H3;1H
InChIKeyDTRNGRVJAWYWIP-UHFFFAOYSA-N
MW386.69 g/mol
LogP2.60
Rot. Bonds1

About (3,5-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride

(3,5-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride (PubChem CID 119564307) has the molecular formula C11H16ClIN2OS and a molecular weight of 386.69 g/mol. Its IUPAC name is (3,5-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride
PubChem CID119564307
Molecular FormulaC11H16ClIN2OS
Molecular Weight386.69 g/mol
Exact Mass385.97
IUPAC Name(3,5-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2csc(I)c2)CC(C)N1.Cl
InChIInChI=1S/C11H15IN2OS.ClH/c1-7-4-14(5-8(2)13-7)11(15)9-3-10(12)16-6-9;/h3,6-8,13H,4-5H2,1-2H3;1H
InChIKeyDTRNGRVJAWYWIP-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.69
LogP ≤ 52.60
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

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 120657361
(3,5-dimethylpiperazin-1-yl)-(4-iodophenyl)methanone
CID 63862421
1-(5-iodothiophene-3-carbonyl)azetidine-3-carboxylic acid
CID 79684884
1-(5-iodothiophene-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118299
5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide
CID 124590095
(5-iodothiophen-3-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413710
(3,5-dimethylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119564732
(3R,4R)-4-cyclopropyl-1-(5-iodothiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120978348
[3-(dimethylamino)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949609
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
[4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 79693125
(4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80661761

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride?
The IUPAC name of (3,5-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride (CID 119564307) is (3,5-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride.
What is the SMILES notation for (3,5-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride?
The canonical SMILES for (3,5-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride is CC1CN(C(=O)c2csc(I)c2)CC(C)N1.Cl.
What is the InChIKey of (3,5-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride?
The InChIKey is DTRNGRVJAWYWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2OS.ClH/c1-7-4-14(5-8(2)13-7)11(15)9-3-10(12)16-6-9;/h3,6-8,13H,4-5H2,1-2H3;1H.
What are the key properties of (3,5-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride?
(3,5-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride has a molecular weight of 386.69 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119564307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).