(5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone

C16H16INO2S — CID 78949980

IUPAC(5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C16H16INO2S/c17-15-10-12(11-21-15)16(19)18-8-6-14(7-9-18)20-13-4-2-1-3-5-13/h1-5,10-11,14H,6-9H2
InChIKeyALUVZXCOHVZKTG-UHFFFAOYSA-N
MW413.28 g/mol
LogP4.04
Rot. Bonds3

About (5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone

(5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone (PubChem CID 78949980) has the molecular formula C16H16INO2S and a molecular weight of 413.28 g/mol. Its IUPAC name is (5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
PubChem CID78949980
Molecular FormulaC16H16INO2S
Molecular Weight413.28 g/mol
Exact Mass412.99
IUPAC Name(5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
SMILESO=C(c1csc(I)c1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C16H16INO2S/c17-15-10-12(11-21-15)16(19)18-8-6-14(7-9-18)20-13-4-2-1-3-5-13/h1-5,10-11,14H,6-9H2
InChIKeyALUVZXCOHVZKTG-UHFFFAOYSA-N
XLogP4.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(5-bromothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 60954681
2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055245
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
(4-bromopiperidin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 80661761
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
[4-(hydroxymethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 79693125
(4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone
CID 86835918
[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119290330
[4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949659
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78950588
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
[4-(ethylaminomethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 80551583

Frequently Asked Questions

What is the IUPAC name of (5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone?
The IUPAC name of (5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone (CID 78949980) is (5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone?
The canonical SMILES for (5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone is O=C(c1csc(I)c1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of (5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone?
The InChIKey is ALUVZXCOHVZKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO2S/c17-15-10-12(11-21-15)16(19)18-8-6-14(7-9-18)20-13-4-2-1-3-5-13/h1-5,10-11,14H,6-9H2.
What are the key properties of (5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone?
(5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone has a molecular weight of 413.28 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodothiophen-3-yl)-(4-phenoxypiperidin-1-yl)methanone is sourced from PubChem (CID 78949980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).