6-(4-iodophenyl)-1-phenylpiperidin-2-one

C17H16INO — CID 14576862

IUPAC6-(4-iodophenyl)-1-phenylpiperidin-2-one
SMILESO=C1CCCC(c2ccc(I)cc2)N1c1ccccc1
InChIInChI=1S/C17H16INO/c18-14-11-9-13(10-12-14)16-7-4-8-17(20)19(16)15-5-2-1-3-6-15/h1-3,5-6,9-12,16H,4,7-8H2
InChIKeyBAYYGHPEOMQIOZ-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.55
Rot. Bonds2

About 6-(4-iodophenyl)-1-phenylpiperidin-2-one

6-(4-iodophenyl)-1-phenylpiperidin-2-one (PubChem CID 14576862) has the molecular formula C17H16INO and a molecular weight of 377.23 g/mol. Its IUPAC name is 6-(4-iodophenyl)-1-phenylpiperidin-2-one.

Molecular Properties

Compound Name6-(4-iodophenyl)-1-phenylpiperidin-2-one
PubChem CID14576862
Molecular FormulaC17H16INO
Molecular Weight377.23 g/mol
Exact Mass377.03
IUPAC Name6-(4-iodophenyl)-1-phenylpiperidin-2-one
SMILESO=C1CCCC(c2ccc(I)cc2)N1c1ccccc1
InChIInChI=1S/C17H16INO/c18-14-11-9-13(10-12-14)16-7-4-8-17(20)19(16)15-5-2-1-3-6-15/h1-3,5-6,9-12,16H,4,7-8H2
InChIKeyBAYYGHPEOMQIOZ-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-6-phenylpiperidin-2-one
CID 14576903
4-(4-bromophenyl)-1-phenylazetidin-2-one
CID 22142286
3-(4-methylphenyl)-1,4-diphenyl-1,3-diazepan-2-one
CID 146164427
5-ethyl-1-phenylpyrrolidin-2-one
CID 14142559
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
(2S)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 134861017
CID 11716839
CID 11716839
1,4,5-triphenylpyrrolidin-2-one
CID 3541740
3-(4-iodoanilino)-1-phenylpyrrolidine-2,5-dione
CID 2859195
2-(4-iodophenyl)-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932814
5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 110416840
(3R,4R)-3-(4-iodophenyl)-1-oxo-2-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid
CID 155815176

Frequently Asked Questions

What is the IUPAC name of 6-(4-iodophenyl)-1-phenylpiperidin-2-one?
The IUPAC name of 6-(4-iodophenyl)-1-phenylpiperidin-2-one (CID 14576862) is 6-(4-iodophenyl)-1-phenylpiperidin-2-one.
What is the SMILES notation for 6-(4-iodophenyl)-1-phenylpiperidin-2-one?
The canonical SMILES for 6-(4-iodophenyl)-1-phenylpiperidin-2-one is O=C1CCCC(c2ccc(I)cc2)N1c1ccccc1.
What is the InChIKey of 6-(4-iodophenyl)-1-phenylpiperidin-2-one?
The InChIKey is BAYYGHPEOMQIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16INO/c18-14-11-9-13(10-12-14)16-7-4-8-17(20)19(16)15-5-2-1-3-6-15/h1-3,5-6,9-12,16H,4,7-8H2.
What are the key properties of 6-(4-iodophenyl)-1-phenylpiperidin-2-one?
6-(4-iodophenyl)-1-phenylpiperidin-2-one has a molecular weight of 377.23 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-iodophenyl)-1-phenylpiperidin-2-one is sourced from PubChem (CID 14576862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).