3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide

C20H23IN2O2 — CID 55945445

IUPAC3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
SMILESCOc1cccc(CN2CCC(NC(=O)c3cccc(I)c3)CC2)c1
InChIInChI=1S/C20H23IN2O2/c1-25-19-7-2-4-15(12-19)14-23-10-8-18(9-11-23)22-20(24)16-5-3-6-17(21)13-16/h2-7,12-13,18H,8-11,14H2,1H3,(H,22,24)
InChIKeyHWHIRFNLCVXUEQ-UHFFFAOYSA-N
MW450.32 g/mol
LogP3.69
Rot. Bonds5

About 3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide

3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 55945445) has the molecular formula C20H23IN2O2 and a molecular weight of 450.32 g/mol. Its IUPAC name is 3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
PubChem CID55945445
Molecular FormulaC20H23IN2O2
Molecular Weight450.32 g/mol
Exact Mass450.08
IUPAC Name3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
SMILESCOc1cccc(CN2CCC(NC(=O)c3cccc(I)c3)CC2)c1
InChIInChI=1S/C20H23IN2O2/c1-25-19-7-2-4-15(12-19)14-23-10-8-18(9-11-23)22-20(24)16-5-3-6-17(21)13-16/h2-7,12-13,18H,8-11,14H2,1H3,(H,22,24)
InChIKeyHWHIRFNLCVXUEQ-UHFFFAOYSA-N
XLogP3.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.32
LogP ≤ 53.69
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

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
3-methoxy-N-[1-[[7-(2-oxoethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 24954776
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide
CID 55945588
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 67943148
3-methoxy-N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]benzamide;hydrobromide
CID 68524871
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-[1-[[7-(2-hydroxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
CID 24952293
N-[1-[[7-(cyclopropylmethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-methoxybenzamide
CID 24951571
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,4-dimethylpent-4-enamide
CID 126796768
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-methoxyphenyl)benzamide
CID 91779291

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide (CID 55945445) is 3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide is COc1cccc(CN2CCC(NC(=O)c3cccc(I)c3)CC2)c1.
What is the InChIKey of 3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is HWHIRFNLCVXUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23IN2O2/c1-25-19-7-2-4-15(12-19)14-23-10-8-18(9-11-23)22-20(24)16-5-3-6-17(21)13-16/h2-7,12-13,18H,8-11,14H2,1H3,(H,22,24).
What are the key properties of 3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 450.32 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 55945445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).