1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one

C13H16INO — CID 104680275

IUPAC1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one
SMILESCC1CCCN(Cc2ccc(I)cc2)C1=O
InChIInChI=1S/C13H16INO/c1-10-3-2-8-15(13(10)16)9-11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9H2,1H3
InChIKeyDVQJWCAXOKMZLN-UHFFFAOYSA-N
MW329.18 g/mol
LogP3.05
Rot. Bonds2

About 1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one

1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one (PubChem CID 104680275) has the molecular formula C13H16INO and a molecular weight of 329.18 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one
PubChem CID104680275
Molecular FormulaC13H16INO
Molecular Weight329.18 g/mol
Exact Mass329.03
IUPAC Name1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one
SMILESCC1CCCN(Cc2ccc(I)cc2)C1=O
InChIInChI=1S/C13H16INO/c1-10-3-2-8-15(13(10)16)9-11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9H2,1H3
InChIKeyDVQJWCAXOKMZLN-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 53.05
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-[[6-(ethylamino)-3-pyridinyl]methyl]-3-methylpiperidin-2-one
CID 104680386
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-2-one
CID 104680079
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-3-methylpiperidin-2-one
CID 113440359
1-[[2-(aminomethyl)phenyl]methyl]-3-methylpiperidin-2-one
CID 104679826
1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpiperidin-2-one
CID 104680265
1-[(6-chloro-2-pyridinyl)methyl]-3-methylpiperidin-2-one
CID 104680078
(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one
CID 163890114
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
[4-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 175835226
2-[(4-iodophenyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79938253
1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperidin-2-one
CID 104680382
1-benzyl-3-ethylpiperidin-2-one
CID 13440525

Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one?
The IUPAC name of 1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one (CID 104680275) is 1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one?
The canonical SMILES for 1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one is CC1CCCN(Cc2ccc(I)cc2)C1=O.
What is the InChIKey of 1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one?
The InChIKey is DVQJWCAXOKMZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO/c1-10-3-2-8-15(13(10)16)9-11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one?
1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one has a molecular weight of 329.18 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methyl]-3-methylpiperidin-2-one is sourced from PubChem (CID 104680275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).