(3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone

C18H25IN2O2 — CID 90616553

IUPAC(3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CCN(C2CCN(C(=O)c3cccc(I)c3)CC2)CC1
InChIInChI=1S/C18H25IN2O2/c1-23-17-7-11-20(12-8-17)16-5-9-21(10-6-16)18(22)14-3-2-4-15(19)13-14/h2-4,13,16-17H,5-12H2,1H3
InChIKeyBHWUCKLODGJNNT-UHFFFAOYSA-N
MW428.31 g/mol
LogP3.01
Rot. Bonds3

About (3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone

(3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 90616553) has the molecular formula C18H25IN2O2 and a molecular weight of 428.31 g/mol. Its IUPAC name is (3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID90616553
Molecular FormulaC18H25IN2O2
Molecular Weight428.31 g/mol
Exact Mass428.10
IUPAC Name(3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CCN(C2CCN(C(=O)c3cccc(I)c3)CC2)CC1
InChIInChI=1S/C18H25IN2O2/c1-23-17-7-11-20(12-8-17)16-5-9-21(10-6-16)18(22)14-3-2-4-15(19)13-14/h2-4,13,16-17H,5-12H2,1H3
InChIKeyBHWUCKLODGJNNT-UHFFFAOYSA-N
XLogP3.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.31
LogP ≤ 53.01
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

(3,4-dimethylphenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616508
[4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616349
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293
(4-aminopiperidin-1-yl)-(3-iodophenyl)methanone
CID 43556170
[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone
CID 90616401
2,1,3-benzothiadiazol-5-yl-[4-(3-methoxypyrrolidin-1-yl)piperidin-1-yl]methanone
CID 122160856
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
(2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616521
(5-bromo-3-pyridinyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616461
azetidin-1-yl-(3-iodophenyl)methanone
CID 58181602
(3-chloro-4-iodophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103734767
[4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride
CID 119661929

Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone (CID 90616553) is (3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone is COC1CCN(C2CCN(C(=O)c3cccc(I)c3)CC2)CC1.
What is the InChIKey of (3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is BHWUCKLODGJNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25IN2O2/c1-23-17-7-11-20(12-8-17)16-5-9-21(10-6-16)18(22)14-3-2-4-15(19)13-14/h2-4,13,16-17H,5-12H2,1H3.
What are the key properties of (3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
(3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 428.31 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 90616553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).