N-[6-hydroxy-4-iodo-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide

C23H27IN2O2 — CID 15925860

IUPACN-[6-hydroxy-4-iodo-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1ccc(I)c2c1CC(N1CCC(c3ccccc3)CC1)C(O)C2
InChIInChI=1S/C23H27IN2O2/c1-15(27)25-21-8-7-20(24)18-14-23(28)22(13-19(18)21)26-11-9-17(10-12-26)16-5-3-2-4-6-16/h2-8,17,22-23,28H,9-14H2,1H3,(H,25,27)
InChIKeyMOUUGNUWHFATKV-UHFFFAOYSA-N
MW490.39 g/mol
LogP3.96
Rot. Bonds3

About N-[6-hydroxy-4-iodo-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide

N-[6-hydroxy-4-iodo-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 15925860) has the molecular formula C23H27IN2O2 and a molecular weight of 490.39 g/mol. Its IUPAC name is N-[6-hydroxy-4-iodo-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-hydroxy-4-iodo-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
PubChem CID15925860
Molecular FormulaC23H27IN2O2
Molecular Weight490.39 g/mol
Exact Mass490.11
IUPAC NameN-[6-hydroxy-4-iodo-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1ccc(I)c2c1CC(N1CCC(c3ccccc3)CC1)C(O)C2
InChIInChI=1S/C23H27IN2O2/c1-15(27)25-21-8-7-20(24)18-14-23(28)22(13-19(18)21)26-11-9-17(10-12-26)16-5-3-2-4-6-16/h2-8,17,22-23,28H,9-14H2,1H3,(H,25,27)
InChIKeyMOUUGNUWHFATKV-UHFFFAOYSA-N
XLogP3.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-hydroxy-4-iodo-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of N-[6-hydroxy-4-iodo-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide (CID 15925860) is N-[6-hydroxy-4-iodo-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[6-hydroxy-4-iodo-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for N-[6-hydroxy-4-iodo-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide is CC(=O)Nc1ccc(I)c2c1CC(N1CCC(c3ccccc3)CC1)C(O)C2.
What is the InChIKey of N-[6-hydroxy-4-iodo-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is MOUUGNUWHFATKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27IN2O2/c1-15(27)25-21-8-7-20(24)18-14-23(28)22(13-19(18)21)26-11-9-17(10-12-26)16-5-3-2-4-6-16/h2-8,17,22-23,28H,9-14H2,1H3,(H,25,27).
What are the key properties of N-[6-hydroxy-4-iodo-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide?
N-[6-hydroxy-4-iodo-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 490.39 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-hydroxy-4-iodo-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 15925860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).